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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Undecanoic acid, 98%

CAS: 112-37-8 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.295 MDL Number: MFCD00002730 InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N Synonym: hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg PubChem CID: 8180 ChEBI: CHEBI:32368 IUPAC Name: undecanoic acid SMILES: CCCCCCCCCCC(=O)O

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PubChem CID	8180
CAS	112-37-8
Molecular Weight (g/mol)	186.295
ChEBI	CHEBI:32368
MDL Number	MFCD00002730
SMILES	CCCCCCCCCCC(=O)O
Synonym	hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg
IUPAC Name	undecanoic acid
InChI Key	ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula	C11H22O2

Thermo Scientific Chemicals all-trans-Retinoic acid, 97%

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra PubChem CID: 444795 ChEBI: CHEBI:15367 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

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Specifications

PubChem CID	444795
CAS	302-79-4
Molecular Weight (g/mol)	300.44
ChEBI	CHEBI:15367
MDL Number	MFCD00001551
SMILES	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Synonym	retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra
IUPAC Name	(2E,4E,6E,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

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

Ethylmalonic acid, 97+%

CAS: 601-75-2 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00002668 InChI Key: UKFXDFUAPNAMPJ-UHFFFAOYSA-N Synonym: ethylmalonic acid,2-ethylmalonic acid,propanedioic acid, ethyl,1,1-propanedicarboxylic acid,alpha-carboxybutyric acid,malonic acid, ethyl,ethylmalonate,ethyl-malonic acid,unii-432nf49dfg,ethylpropanedioic acid PubChem CID: 11756 ChEBI: CHEBI:741548 IUPAC Name: 2-ethylpropanedioic acid SMILES: CCC(C(=O)O)C(=O)O

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PubChem CID	11756
CAS	601-75-2
Molecular Weight (g/mol)	132.115
ChEBI	CHEBI:741548
MDL Number	MFCD00002668
SMILES	CCC(C(=O)O)C(=O)O
Synonym	ethylmalonic acid,2-ethylmalonic acid,propanedioic acid, ethyl,1,1-propanedicarboxylic acid,alpha-carboxybutyric acid,malonic acid, ethyl,ethylmalonate,ethyl-malonic acid,unii-432nf49dfg,ethylpropanedioic acid
IUPAC Name	2-ethylpropanedioic acid
InChI Key	UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Molecular Formula	C5H8O4

2-n-Propylheptanoic acid, 97%

CAS: 31080-39-4 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD01723758 InChI Key: RXGPYPPCEXISOV-UHFFFAOYNA-N Synonym: 2-propylheptanic acid,4-nonanecarboxylic acid,heptanoic acid,2-propyl,heptanoic acid, 2-propyl,2-propylheptansaeure german,2-n-propylheptanoic acid,2-n-propyl-1-heptanoic acid,2-propylheptansaeure,2-02-00-00313 beilstein handbook reference PubChem CID: 35728 IUPAC Name: 2-propylheptanoic acid SMILES: CCCCCC(CCC)C(O)=O

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PubChem CID	35728
CAS	31080-39-4
Molecular Weight (g/mol)	172.27
MDL Number	MFCD01723758
SMILES	CCCCCC(CCC)C(O)=O
Synonym	2-propylheptanic acid,4-nonanecarboxylic acid,heptanoic acid,2-propyl,heptanoic acid, 2-propyl,2-propylheptansaeure german,2-n-propylheptanoic acid,2-n-propyl-1-heptanoic acid,2-propylheptansaeure,2-02-00-00313 beilstein handbook reference
IUPAC Name	2-propylheptanoic acid
InChI Key	RXGPYPPCEXISOV-UHFFFAOYNA-N
Molecular Formula	C10H20O2

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

2,3-Dibromobutyric acid, 97%

CAS: 600-30-6 Molecular Formula: C4H6Br2O2 Molecular Weight (g/mol): 245.898 MDL Number: MFCD00014334 InChI Key: HESQKTULJLBDRF-UHFFFAOYSA-N Synonym: 2,3-dibromobutyric acid,.alpha.,.beta.-dibromobutyric acid,2,3-dibromo-butyric acid,acmc-1atov,2,3 dibromobutyric acid,#,butanoic acid,2,3-dibromo,butanoic acid, 2,3-dibromo,alpha,beta-dibromo-n-butyric acid,.alpha.,.beta.-dibromo-n-butyric acid PubChem CID: 95386 IUPAC Name: 2,3-dibromobutanoic acid SMILES: CC(C(C(=O)O)Br)Br

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PubChem CID	95386
CAS	600-30-6
Molecular Weight (g/mol)	245.898
MDL Number	MFCD00014334
SMILES	CC(C(C(=O)O)Br)Br
Synonym	2,3-dibromobutyric acid,.alpha.,.beta.-dibromobutyric acid,2,3-dibromo-butyric acid,acmc-1atov,2,3 dibromobutyric acid,#,butanoic acid,2,3-dibromo,butanoic acid, 2,3-dibromo,alpha,beta-dibromo-n-butyric acid,.alpha.,.beta.-dibromo-n-butyric acid
IUPAC Name	2,3-dibromobutanoic acid
InChI Key	HESQKTULJLBDRF-UHFFFAOYSA-N
Molecular Formula	C4H6Br2O2

Nickel(II) octanoate, in mineral spirits (8% Ni)

CAS: 4995-91-9 Molecular Formula: C8H16NiO2 Molecular Weight (g/mol): 202.907 MDL Number: MFCD00064239 InChI Key: ANYMYNDNCKURBB-UHFFFAOYSA-N Synonym: nickel dioctanoate,nickel 2+ caprylate,nickel octoate,caprylic acid, nickel ii salt,octanoic acid, nickel 2+ salt PubChem CID: 54611835 IUPAC Name: nickel;octanoic acid SMILES: CCCCCCCC(=O)O.[Ni]

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PubChem CID	54611835
CAS	4995-91-9
Molecular Weight (g/mol)	202.907
MDL Number	MFCD00064239
SMILES	CCCCCCCC(=O)O.[Ni]
Synonym	nickel dioctanoate,nickel 2+ caprylate,nickel octoate,caprylic acid, nickel ii salt,octanoic acid, nickel 2+ salt
IUPAC Name	nickel;octanoic acid
InChI Key	ANYMYNDNCKURBB-UHFFFAOYSA-N
Molecular Formula	C8H16NiO2

Mucobromic acid, 98+%

CAS: 488-11-9 Molecular Formula: C4HBr2O3- Molecular Weight (g/mol): 256.857 MDL Number: MFCD00063745 InChI Key: NCNYEGJDGNOYJX-IHWYPQMZSA-M Synonym: mucobromic acid,z-2,3-dibromo-4-oxo-2-butenoate,z-2,3-dibromo-4-oxobut-2-enoate,2z-2,3-dibromo-4-oxobut-2-enoate,z-2,3-bis bromanyl-4-oxidanylidene-but-2-enoate PubChem CID: 6994897 IUPAC Name: (Z)-2,3-dibromo-4-oxobut-2-enoate SMILES: C(=O)C(=C(C(=O)[O-])Br)Br

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Specifications

PubChem CID	6994897
CAS	488-11-9
Molecular Weight (g/mol)	256.857
MDL Number	MFCD00063745
SMILES	C(=O)C(=C(C(=O)[O-])Br)Br
Synonym	mucobromic acid,z-2,3-dibromo-4-oxo-2-butenoate,z-2,3-dibromo-4-oxobut-2-enoate,2z-2,3-dibromo-4-oxobut-2-enoate,z-2,3-bis bromanyl-4-oxidanylidene-but-2-enoate
IUPAC Name	(Z)-2,3-dibromo-4-oxobut-2-enoate
InChI Key	NCNYEGJDGNOYJX-IHWYPQMZSA-M
Molecular Formula	C4HBr2O3-

4-Ethyloctanoic acid, 97%

CAS: 16493-80-4 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00506494 InChI Key: PWKJMPFEQOHBAC-UHFFFAOYSA-N Synonym: octanoic acid, 4-ethyl,4-ethylcaprylic acid,4-ethyl octanoic acid,acmc-1bvq5,4-ethyloctanoicacid,ksc175o1l,4-ethyloctanoic acid, fg PubChem CID: 61840 IUPAC Name: 4-ethyloctanoic acid SMILES: CCCCC(CC)CCC(=O)O

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Specifications

PubChem CID	61840
CAS	16493-80-4
Molecular Weight (g/mol)	172.268
MDL Number	MFCD00506494
SMILES	CCCCC(CC)CCC(=O)O
Synonym	octanoic acid, 4-ethyl,4-ethylcaprylic acid,4-ethyl octanoic acid,acmc-1bvq5,4-ethyloctanoicacid,ksc175o1l,4-ethyloctanoic acid, fg
IUPAC Name	4-ethyloctanoic acid
InChI Key	PWKJMPFEQOHBAC-UHFFFAOYSA-N
Molecular Formula	C10H20O2

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

Nalpha-Boc-D-lysine, 98%

CAS: 106719-44-2 Molecular Formula: C11H22N2O4 Molecular Weight (g/mol): 246.31 MDL Number: MFCD00076956 InChI Key: DQUHYEDEGRNAFO-SVGMAFHSNA-N Synonym: boc-d-lys-oh,boc-l-lys-oh,n2-boc-d-lysine,nalpha-tert-butoxycarbonyl-d-lysine,nalpha-boc-d-lysine,n-,a-boc-d-lysine,boc-d-lysine,d-lysine, n2-1,1-dimethylethoxy carbonyl,n-tert-butoxycarbonyl-d-lysine,n-alpha-t-butoxycarbonyl-d-lysine PubChem CID: 7018770 IUPAC Name: (2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)N[C@H](CCCCN)C(O)=O

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Specifications

PubChem CID	7018770
CAS	106719-44-2
Molecular Weight (g/mol)	246.31
MDL Number	MFCD00076956
SMILES	CC(C)(C)OC(=O)N[C@H](CCCCN)C(O)=O
Synonym	boc-d-lys-oh,boc-l-lys-oh,n2-boc-d-lysine,nalpha-tert-butoxycarbonyl-d-lysine,nalpha-boc-d-lysine,n-,a-boc-d-lysine,boc-d-lysine,d-lysine, n2-1,1-dimethylethoxy carbonyl,n-tert-butoxycarbonyl-d-lysine,n-alpha-t-butoxycarbonyl-d-lysine
IUPAC Name	(2R)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	DQUHYEDEGRNAFO-SVGMAFHSNA-N
Molecular Formula	C11H22N2O4

Arachidic acid, 98%

CAS: 506-30-9 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.54 MDL Number: MFCD00002755 InChI Key: VKOBVWXKNCXXDE-UHFFFAOYSA-N Synonym: arachidic acid,eicosanoic acid,arachic acid,n-eicosanoic acid,arachidinic acid,arachidate,eicosanoate,unii-pqb8mjd4rb,pqb8mjd4rb,n-eicosanoate PubChem CID: 10467 ChEBI: CHEBI:28822 IUPAC Name: icosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O

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Specifications

PubChem CID	10467
CAS	506-30-9
Molecular Weight (g/mol)	312.54
ChEBI	CHEBI:28822
MDL Number	MFCD00002755
SMILES	CCCCCCCCCCCCCCCCCCCC(O)=O
Synonym	arachidic acid,eicosanoic acid,arachic acid,n-eicosanoic acid,arachidinic acid,arachidate,eicosanoate,unii-pqb8mjd4rb,pqb8mjd4rb,n-eicosanoate
IUPAC Name	icosanoic acid
InChI Key	VKOBVWXKNCXXDE-UHFFFAOYSA-N
Molecular Formula	C20H40O2

6-(Boc-amino)hexanoic acid, 95%

CAS: 6404-29-1 Molecular Formula: C11H21NO4 Molecular Weight (g/mol): 231.292 MDL Number: MFCD00037798 InChI Key: RUFDYIJGNPVTAY-UHFFFAOYSA-N Synonym: boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid PubChem CID: 637602 IUPAC Name: 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid SMILES: CC(C)(C)OC(=O)NCCCCCC(=O)O

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Specifications

PubChem CID	637602
CAS	6404-29-1
Molecular Weight (g/mol)	231.292
MDL Number	MFCD00037798
SMILES	CC(C)(C)OC(=O)NCCCCCC(=O)O
Synonym	boc-epsilon-acp-oh,boc-6-aminocaproic acid,6-tert-butoxycarbonyl amino hexanoic acid,boc-6-ahx-oh,6-boc-amino hexanoic acid,boc-,a-acp-oh,hexanoic acid, 6-1,1-dimethylethoxy carbonyl amino,n-boc-6-aminohexanoic acid,6-boc-amino caproic acid
IUPAC Name	6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
InChI Key	RUFDYIJGNPVTAY-UHFFFAOYSA-N
Molecular Formula	C11H21NO4

2,2-Dimethyl-4-pentenoic acid, 97%

CAS: 16386-93-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00012304 InChI Key: BGUAPYRHJPWVEM-UHFFFAOYSA-N Synonym: 2,2-dimethyl-4-pentenoic acid,4-pentenoic acid, 2,2-dimethyl,2,2-dimethyl-pent-4-enoic acid,2,2-dimethyl-4-pentenoicacid,pubchem12797,acmc-1c5lb,ksc495e3r,2,2-dimethyl4-pentenoic acid,2,2-dimethyl-1-4-pentenoic acid 1g PubChem CID: 140065 IUPAC Name: 2,2-dimethylpent-4-enoic acid SMILES: CC(C)(CC=C)C(O)=O

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Specifications

PubChem CID	140065
CAS	16386-93-9
Molecular Weight (g/mol)	128.17
MDL Number	MFCD00012304
SMILES	CC(C)(CC=C)C(O)=O
Synonym	2,2-dimethyl-4-pentenoic acid,4-pentenoic acid, 2,2-dimethyl,2,2-dimethyl-pent-4-enoic acid,2,2-dimethyl-4-pentenoicacid,pubchem12797,acmc-1c5lb,ksc495e3r,2,2-dimethyl4-pentenoic acid,2,2-dimethyl-1-4-pentenoic acid 1g
IUPAC Name	2,2-dimethylpent-4-enoic acid
InChI Key	BGUAPYRHJPWVEM-UHFFFAOYSA-N
Molecular Formula	C7H12O2

Fatty acid conjugates

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