Fatty acid conjugates

Positional and geometric isomers of fatty acids with conjugated double bonds; implies four consecutive unsaturated links, and results in a delocalization of electrons along the double-bonded carbons; available in carbon chains of varying length.

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Thermo Scientific Chemicals Linoleic acid, 70%

CAS: 60-33-3 Molecular Formula: C₁₈H₃₂O₂ Molecular Weight (g/mol): 280.45 MDL Number: MFCD00064241 InChI Key: OYHQOLUKZRVURQ-HZJYTTRNSA-N Synonym: linoleic acid,linolic acid,telfairic acid,cis,cis-linoleic acid,9z,12z-octadeca-9,12-dienoic acid,linoleate,grape seed oil,cis,cis-9,12-octadecadienoic acid,cis-9,cis-12-octadecadienoic acid,9z,12z-linoleic acid PubChem CID: 5280450 ChEBI: CHEBI:17351 IUPAC Name: (9Z,12Z)-octadeca-9,12-dienoic acid SMILES: CCCCCC=CCC=CCCCCCCCC(=O)O

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PubChem CID	5280450
CAS	60-33-3
Molecular Weight (g/mol)	280.45
ChEBI	CHEBI:17351
MDL Number	MFCD00064241
SMILES	CCCCCC=CCC=CCCCCCCCC(=O)O
Synonym	linoleic acid,linolic acid,telfairic acid,cis,cis-linoleic acid,9z,12z-octadeca-9,12-dienoic acid,linoleate,grape seed oil,cis,cis-9,12-octadecadienoic acid,cis-9,cis-12-octadecadienoic acid,9z,12z-linoleic acid
IUPAC Name	(9Z,12Z)-octadeca-9,12-dienoic acid
InChI Key	OYHQOLUKZRVURQ-HZJYTTRNSA-N
Molecular Formula	C₁₈H₃₂O₂

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cis,cis-Muconic acid, 98%

CAS: 1119-72-8 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00085266 InChI Key: TXXHDPDFNKHHGW-ZPUQHVIOSA-N Synonym: cis,cis-muconic acid,2z,4z-hexa-2,4-dienedioic acid,cis,cis-muconate,unii-2g78tuq51g,cis,cis-2,4-hexadienedioic acid,2,4-hexadienedioic acid, z,z,2z,4z-hexadienedioic acid,cis,cis-hexadienedioate,z,z-2,4-hexadienedioic acid,2,4-hexadienedioic acid PubChem CID: 5280518 ChEBI: CHEBI:16508 SMILES: OC(=O)\C=C\C=C\C(O)=O

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PubChem CID	5280518
CAS	1119-72-8
Molecular Weight (g/mol)	142.11
ChEBI	CHEBI:16508
MDL Number	MFCD00085266
SMILES	OC(=O)\C=C\C=C\C(O)=O
Synonym	cis,cis-muconic acid,2z,4z-hexa-2,4-dienedioic acid,cis,cis-muconate,unii-2g78tuq51g,cis,cis-2,4-hexadienedioic acid,2,4-hexadienedioic acid, z,z,2z,4z-hexadienedioic acid,cis,cis-hexadienedioate,z,z-2,4-hexadienedioic acid,2,4-hexadienedioic acid
InChI Key	TXXHDPDFNKHHGW-ZPUQHVIOSA-N
Molecular Formula	C6H6O4

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2-Butynoic acid, 98%

CAS: 590-93-2 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00004363 InChI Key: LUEHNHVFDCZTGL-UHFFFAOYSA-N Synonym: 2-butynoic acid,tetrolic acid,3-methylpropiolic acid,1-propynecarboxylic acid,2-butynoicacid,tetrolsaure,butynoic acid,2-butynic acid,propinecarboxylic acid PubChem CID: 68535 IUPAC Name: but-2-ynoic acid SMILES: CC#CC(O)=O

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PubChem CID	68535
CAS	590-93-2
Molecular Weight (g/mol)	84.07
MDL Number	MFCD00004363
SMILES	CC#CC(O)=O
Synonym	2-butynoic acid,tetrolic acid,3-methylpropiolic acid,1-propynecarboxylic acid,2-butynoicacid,tetrolsaure,butynoic acid,2-butynic acid,propinecarboxylic acid
IUPAC Name	but-2-ynoic acid
InChI Key	LUEHNHVFDCZTGL-UHFFFAOYSA-N
Molecular Formula	C4H4O2

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10-Bromodecanoic acid, 95%

CAS: 50530-12-6 Molecular Formula: C10H19BrO2 Molecular Weight (g/mol): 251.164 MDL Number: MFCD00014388 InChI Key: PGVRSPIEZYGOAD-UHFFFAOYSA-N Synonym: 10-bromo-decanoic acid,decanoic acid, 10-bromo,10-bromanyldecanoic acid,10-bromodecanoicacid,acmc-1aonn,10-bromodecanoic acid.,.omega.-bromodecanoic acid,ghl.pd_mitscher_leg0.481,ksc489q1r,10-bromodecanoic acid PubChem CID: 142712 IUPAC Name: 10-bromodecanoic acid SMILES: C(CCCCC(=O)O)CCCCBr

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Specifications

PubChem CID	142712
CAS	50530-12-6
Molecular Weight (g/mol)	251.164
MDL Number	MFCD00014388
SMILES	C(CCCCC(=O)O)CCCCBr
Synonym	10-bromo-decanoic acid,decanoic acid, 10-bromo,10-bromanyldecanoic acid,10-bromodecanoicacid,acmc-1aonn,10-bromodecanoic acid.,.omega.-bromodecanoic acid,ghl.pd_mitscher_leg0.481,ksc489q1r,10-bromodecanoic acid
IUPAC Name	10-bromodecanoic acid
InChI Key	PGVRSPIEZYGOAD-UHFFFAOYSA-N
Molecular Formula	C10H19BrO2

1,18-Octadecanedicarboxylic acid

CAS: 2424-92-2 Molecular Formula: C20H38O4 Molecular Weight (g/mol): 342.52 MDL Number: MFCD00059627 InChI Key: JJOJFIHJIRWASH-UHFFFAOYSA-N Synonym: eicosanedioic acid,unii-sod235tgnz,1,18-octadecanedicarboxylic acid,sod235tgnz,octadecane-1,18-dicarboxylic acid,eicosanedioicacid,1,20-icosanedioic acid,1,20-eicosanedioic acid,eicosa-1,20-dioic acid PubChem CID: 75502 ChEBI: CHEBI:73728 IUPAC Name: icosanedioic acid SMILES: C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O

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PubChem CID	75502
CAS	2424-92-2
Molecular Weight (g/mol)	342.52
ChEBI	CHEBI:73728
MDL Number	MFCD00059627
SMILES	C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
Synonym	eicosanedioic acid,unii-sod235tgnz,1,18-octadecanedicarboxylic acid,sod235tgnz,octadecane-1,18-dicarboxylic acid,eicosanedioicacid,1,20-icosanedioic acid,1,20-eicosanedioic acid,eicosa-1,20-dioic acid
IUPAC Name	icosanedioic acid
InChI Key	JJOJFIHJIRWASH-UHFFFAOYSA-N
Molecular Formula	C20H38O4

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Ethyl hydrogen pimelate, 98%

CAS: 33018-91-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00801202 InChI Key: NQYXFXWKKYGBNL-UHFFFAOYSA-N Synonym: ethyl hydrogen pimelate,pimelic acid monoethyl ester,heptanedioic acid monoethyl ester,ethyl hydrogen heptane-1,7-dioate,ethyl hydroden pimelate,heptandioic acid monoethyl ester,heptanedioic acid 1-ethyl ester,heptanedioic acid, 1-ethyl ester PubChem CID: 118383 IUPAC Name: 7-ethoxy-7-oxoheptanoic acid SMILES: CCOC(=O)CCCCCC(=O)O

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PubChem CID	118383
CAS	33018-91-6
Molecular Weight (g/mol)	188.223
MDL Number	MFCD00801202
SMILES	CCOC(=O)CCCCCC(=O)O
Synonym	ethyl hydrogen pimelate,pimelic acid monoethyl ester,heptanedioic acid monoethyl ester,ethyl hydrogen heptane-1,7-dioate,ethyl hydroden pimelate,heptandioic acid monoethyl ester,heptanedioic acid 1-ethyl ester,heptanedioic acid, 1-ethyl ester
IUPAC Name	7-ethoxy-7-oxoheptanoic acid
InChI Key	NQYXFXWKKYGBNL-UHFFFAOYSA-N
Molecular Formula	C9H16O4

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Stearic acid, 97%

CAS: 57-11-4 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00002752 InChI Key: QIQXTHQIDYTFRH-UHFFFAOYSA-N Synonym: stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid PubChem CID: 5281 ChEBI: CHEBI:28842 IUPAC Name: octadecanoic acid SMILES: CCCCCCCCCCCCCCCCCC(O)=O

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PubChem CID	5281
CAS	57-11-4
Molecular Weight (g/mol)	284.48
ChEBI	CHEBI:28842
MDL Number	MFCD00002752
SMILES	CCCCCCCCCCCCCCCCCC(O)=O
Synonym	stearic acid,stearophanic acid,n-octadecanoic acid,cetylacetic acid,pearl stearic,stearex beads,octadecansaeure,stearinsaeure,vanicol,1-heptadecanecarboxylic acid
IUPAC Name	octadecanoic acid
InChI Key	QIQXTHQIDYTFRH-UHFFFAOYSA-N
Molecular Formula	C18H36O2

9-cis-Retinoic acid

CAS: 5300-03-8 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00270072 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid PubChem CID: 449171 ChEBI: CHEBI:50648 IUPAC Name: (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C

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Specifications

PubChem CID	449171
CAS	5300-03-8
Molecular Weight (g/mol)	300.44
ChEBI	CHEBI:50648
MDL Number	MFCD00270072
SMILES	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
Synonym	alitretinoin,9-cis-retinoic acid,panretin,9-cis-tretinoin,panrexin,panretyn,panretin gel,toctino,9-cis retinoic acid,9 z-retinoic acid
IUPAC Name	(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
InChI Key	SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula	C20H28O2

Lactobionic acid, 97%

CAS: 96-82-2 Molecular Formula: C12H22O12 Molecular Weight (g/mol): 358.296 MDL Number: MFCD00078147 InChI Key: JYTUSYBCFIZPBE-AMTLMPIISA-N Synonym: lactobionic acid,4-o-beta-d-galactopyranosyl-d-gluconic acid,unii-65r938s4dv,4-beta-d-galactosido-d-gluconic acid,dsstox_cid_28787,dsstox_rid_83056,dsstox_gsid_48861,lactobionicacid,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2s,3r,4s,5r,6r-3,4,5-trihydroxy-6-hydroxymethyl tetrahydropyran-2-yl oxy-hexanoic acid,prestwick_560 PubChem CID: 7314 ChEBI: CHEBI:55481 IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O

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Specifications

PubChem CID	7314
CAS	96-82-2
Molecular Weight (g/mol)	358.296
ChEBI	CHEBI:55481
MDL Number	MFCD00078147
SMILES	C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C(=O)O)O)O)O)O)O)O
Synonym	lactobionic acid,4-o-beta-d-galactopyranosyl-d-gluconic acid,unii-65r938s4dv,4-beta-d-galactosido-d-gluconic acid,dsstox_cid_28787,dsstox_rid_83056,dsstox_gsid_48861,lactobionicacid,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2s,3r,4s,5r,6r-3,4,5-trihydroxy-6-hydroxymethyl tetrahydropyran-2-yl oxy-hexanoic acid,prestwick_560
IUPAC Name	(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
InChI Key	JYTUSYBCFIZPBE-AMTLMPIISA-N
Molecular Formula	C12H22O12

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Nepsilon-Acetyl-Nalpha-Boc-L-lysine, 98%, Thermo Scientific™

CAS: 6404-26-8 Molecular Formula: C13H24N2O5 Molecular Weight (g/mol): 288.34 MDL Number: MFCD00057791 InChI Key: IOKOUUAPSRCSNT-UEQNJFAPNA-N Synonym: boc-lys ac-oh,n-boc-n'-acetyl-l-lysine,s-6-acetamido-2-tert-butoxycarbonyl amino hexanoic acid,boc-lys-ac-oh,n-boc-n-acetyl-l-lisine,boc-n-epsilon-acetyl-l-lysine,na-t-boc-n-epsilon-acetyl-l-lysine,2s-6-acetylamino-2-tert-butoxycarbonylamino hexanoic acid,2s-2-tert-butoxycarbonyl amino-6-acetamidohexanoic acid PubChem CID: 7016049 IUPAC Name: (2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O

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PubChem CID	7016049
CAS	6404-26-8
Molecular Weight (g/mol)	288.34
MDL Number	MFCD00057791
SMILES	CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(O)=O
Synonym	boc-lys ac-oh,n-boc-n'-acetyl-l-lysine,s-6-acetamido-2-tert-butoxycarbonyl amino hexanoic acid,boc-lys-ac-oh,n-boc-n-acetyl-l-lisine,boc-n-epsilon-acetyl-l-lysine,na-t-boc-n-epsilon-acetyl-l-lysine,2s-6-acetylamino-2-tert-butoxycarbonylamino hexanoic acid,2s-2-tert-butoxycarbonyl amino-6-acetamidohexanoic acid
IUPAC Name	(2S)-6-acetamido-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	IOKOUUAPSRCSNT-UEQNJFAPNA-N
Molecular Formula	C13H24N2O5

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9-Octadecynoic acid, 98%

CAS: 506-24-1 Molecular Formula: C18H32O2 Molecular Weight (g/mol): 280.45 MDL Number: MFCD00014386 InChI Key: RGTIBVZDHOMOKC-UHFFFAOYSA-N Synonym: stearolic acid,9-octadecynoic acid,9-stearolic acid,delta 9-octadecynoic acid,stearolsaeure,octadec-9-insaeure,octadeca-9-ynoic acid,9-odya,d09qia,9-oda PubChem CID: 68167 ChEBI: CHEBI:28801 IUPAC Name: octadec-9-ynoic acid SMILES: CCCCCCCCC#CCCCCCCCC(O)=O

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PubChem CID	68167
CAS	506-24-1
Molecular Weight (g/mol)	280.45
ChEBI	CHEBI:28801
MDL Number	MFCD00014386
SMILES	CCCCCCCCC#CCCCCCCCC(O)=O
Synonym	stearolic acid,9-octadecynoic acid,9-stearolic acid,delta 9-octadecynoic acid,stearolsaeure,octadec-9-insaeure,octadeca-9-ynoic acid,9-odya,d09qia,9-oda
IUPAC Name	octadec-9-ynoic acid
InChI Key	RGTIBVZDHOMOKC-UHFFFAOYSA-N
Molecular Formula	C18H32O2

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Hexacosanoic acid, 98%

CAS: 506-46-7 Molecular Formula: C₂₆H₅₂O₂ Molecular Weight (g/mol): 396.7 MDL Number: MFCD00002811 InChI Key: XMHIUKTWLZUKEX-UHFFFAOYSA-N Synonym: cerotic acid,ceric acid,ceratinic acid,cerinic acid,hexacosanic acid,cerylic acid,cerotinic acid,n-hexacosanoic acid,unii-d42cqn6p36,cerate PubChem CID: 10469 ChEBI: CHEBI:31009 IUPAC Name: hexacosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	10469
CAS	506-46-7
Molecular Weight (g/mol)	396.7
ChEBI	CHEBI:31009
MDL Number	MFCD00002811
SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	cerotic acid,ceric acid,ceratinic acid,cerinic acid,hexacosanic acid,cerylic acid,cerotinic acid,n-hexacosanoic acid,unii-d42cqn6p36,cerate
IUPAC Name	hexacosanoic acid
InChI Key	XMHIUKTWLZUKEX-UHFFFAOYSA-N
Molecular Formula	C₂₆H₅₂O₂

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8-Bromooctanoic acid, 95%

CAS: 17696-11-6 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00004430 InChI Key: BKJFDZSBZWHRNH-UHFFFAOYSA-N Synonym: 8-bromocaprylic acid,8-bromo octanoic acid,octanoic acid, 8-bromo,8-bromo-n-octanoic acid,omega-bromocaprylic acid,8-bromo-octanoic acid,octanoicacid, 8-bromo,acmc-1bo24,8-bromooctanoic acid,ksc180g8h PubChem CID: 548275 IUPAC Name: 8-bromooctanoic acid SMILES: C(CCCC(=O)O)CCCBr

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Specifications

PubChem CID	548275
CAS	17696-11-6
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00004430
SMILES	C(CCCC(=O)O)CCCBr
Synonym	8-bromocaprylic acid,8-bromo octanoic acid,octanoic acid, 8-bromo,8-bromo-n-octanoic acid,omega-bromocaprylic acid,8-bromo-octanoic acid,octanoicacid, 8-bromo,acmc-1bo24,8-bromooctanoic acid,ksc180g8h
IUPAC Name	8-bromooctanoic acid
InChI Key	BKJFDZSBZWHRNH-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

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Tin(II) 2-ethylhexanoate, 95%

CAS: 301-10-0 Molecular Formula: C16H30O4Sn Molecular Weight (g/mol): 405.122 MDL Number: MFCD00002676 InChI Key: KSBAEPSJVUENNK-UHFFFAOYSA-L Synonym: stannous octoate,tin ii 2-ethylhexanoate,tin octoate,tin ii bis 2-ethylhexanoate,tin 2+ bis 2-ethylhexanoate,tin ethylhexanoate,tin 2-ethylhexanoate,hexanoic acid, 2-ethyl-, tin 2+ salt,stannous 2-ethylhexoate,tin ii 2-ethylhexylate PubChem CID: 9318 IUPAC Name: 2-ethylhexanoate;tin(2+) SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]

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Specifications

PubChem CID	9318
CAS	301-10-0
Molecular Weight (g/mol)	405.122
MDL Number	MFCD00002676
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
Synonym	stannous octoate,tin ii 2-ethylhexanoate,tin octoate,tin ii bis 2-ethylhexanoate,tin 2+ bis 2-ethylhexanoate,tin ethylhexanoate,tin 2-ethylhexanoate,hexanoic acid, 2-ethyl-, tin 2+ salt,stannous 2-ethylhexoate,tin ii 2-ethylhexylate
IUPAC Name	2-ethylhexanoate;tin(2+)
InChI Key	KSBAEPSJVUENNK-UHFFFAOYSA-L
Molecular Formula	C16H30O4Sn

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(S)-2-(Boc-amino)butyric acid, 95%

CAS: 34306-42-8 Molecular Formula: C9H17NO4 Molecular Weight (g/mol): 203.24 MDL Number: MFCD00037267 InChI Key: PNFVIPIQXAIUAY-UHFFFAOYNA-N Synonym: boc-abu-oh,boc-l-2-aminobutyric acid,boc-2-abu-oh,s-2-tert-butoxycarbonyl amino butanoic acid,boc-l-2-aminobutanoic acid,boc-l-abu-oh,s-2-tert-butoxycarbonylamino butyric acid,s-2-boc-amino butyric acid,2s-2-tert-butoxycarbonyl amino butanoic acid,l-2-boc-amino butyric acid PubChem CID: 2755934 SMILES: CCC(NC(=O)OC(C)(C)C)C(O)=O

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Specifications

PubChem CID	2755934
CAS	34306-42-8
Molecular Weight (g/mol)	203.24
MDL Number	MFCD00037267
SMILES	CCC(NC(=O)OC(C)(C)C)C(O)=O
Synonym	boc-abu-oh,boc-l-2-aminobutyric acid,boc-2-abu-oh,s-2-tert-butoxycarbonyl amino butanoic acid,boc-l-2-aminobutanoic acid,boc-l-abu-oh,s-2-tert-butoxycarbonylamino butyric acid,s-2-boc-amino butyric acid,2s-2-tert-butoxycarbonyl amino butanoic acid,l-2-boc-amino butyric acid
InChI Key	PNFVIPIQXAIUAY-UHFFFAOYNA-N
Molecular Formula	C9H17NO4

Fatty acid conjugates

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