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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4-Bromobutyric acid, 97%

CAS: 2623-87-2 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00002817 InChI Key: GRHQDJDRGZFIPO-UHFFFAOYSA-N Synonym: 4-bromobutyric acid,butanoic acid, 4-bromo,4-bromo-n-butyric acid,butyric acid, 4-bromo,gamma-bromobutyric acid,rarechem al bo 0176,4-bromobutyricacid,carboxypropyl bromide,4-bromo-butyric acid,pubchem3754 PubChem CID: 75809 IUPAC Name: 4-bromobutanoic acid SMILES: OC(=O)CCCBr

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PubChem CID	75809
CAS	2623-87-2
Molecular Weight (g/mol)	167.00
MDL Number	MFCD00002817
SMILES	OC(=O)CCCBr
Synonym	4-bromobutyric acid,butanoic acid, 4-bromo,4-bromo-n-butyric acid,butyric acid, 4-bromo,gamma-bromobutyric acid,rarechem al bo 0176,4-bromobutyricacid,carboxypropyl bromide,4-bromo-butyric acid,pubchem3754
IUPAC Name	4-bromobutanoic acid
InChI Key	GRHQDJDRGZFIPO-UHFFFAOYSA-N
Molecular Formula	C4H7BrO2

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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

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trans-2-Hexenoic acid, 96%

CAS: 13419-69-7 Molecular Formula: C6H9O2 Molecular Weight (g/mol): 113.14 MDL Number: MFCD00002705 InChI Key: NIONDZDPPYHYKY-SNAWJCMRSA-M Synonym: trans-2-hexenoic acid,2-hexenoic acid,e-hex-2-enoic acid,hex-2-enoic acid,trans-hex-2-enoic acid,e-2-hexenoic acid,hexenoic acid,2e-hex-2-enoic acid,2-hexenoic acid, 2e,2-hexenoic acid, e PubChem CID: 5282707 ChEBI: CHEBI:87721 IUPAC Name: (E)-hex-2-enoic acid SMILES: CCC\C=C\C([O-])=O

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Specifications

PubChem CID	5282707
CAS	13419-69-7
Molecular Weight (g/mol)	113.14
ChEBI	CHEBI:87721
MDL Number	MFCD00002705
SMILES	CCC\C=C\C([O-])=O
Synonym	trans-2-hexenoic acid,2-hexenoic acid,e-hex-2-enoic acid,hex-2-enoic acid,trans-hex-2-enoic acid,e-2-hexenoic acid,hexenoic acid,2e-hex-2-enoic acid,2-hexenoic acid, 2e,2-hexenoic acid, e
IUPAC Name	(E)-hex-2-enoic acid
InChI Key	NIONDZDPPYHYKY-SNAWJCMRSA-M
Molecular Formula	C6H9O2

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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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Specifications

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

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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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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

11-Maleimidoundecanoic acid

CAS: 57079-01-3 Molecular Formula: C15H23NO4 Molecular Weight (g/mol): 281.352 MDL Number: MFCD00941279 InChI Key: UVZTZBRGZXIBLZ-UHFFFAOYSA-N Synonym: 11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837 PubChem CID: 4618600 IUPAC Name: 11-(2,5-dioxopyrrol-1-yl)undecanoic acid SMILES: C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O

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Specifications

PubChem CID	4618600
CAS	57079-01-3
Molecular Weight (g/mol)	281.352
MDL Number	MFCD00941279
SMILES	C1=CC(=O)N(C1=O)CCCCCCCCCCC(=O)O
Synonym	11-maleimidoundecanoic acid,11-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl undecanoic acid,unii-lg78ey7hvb,n-10-carboxydecyl maleimide,11-2,5-dioxopyrrol-1-yl undecanoic acid,lg78ey7hvb,maleimide-ch2 10-cooh,1h-pyrrole-1-undecanoic acid, 2,5-dihydro-2,5-dioxo,kmua,pubchem11837
IUPAC Name	11-(2,5-dioxopyrrol-1-yl)undecanoic acid
InChI Key	UVZTZBRGZXIBLZ-UHFFFAOYSA-N
Molecular Formula	C15H23NO4

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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

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2-Allyl-N-Boc-D-glycine dicyclohexylamine salt, 95%

CAS: 170899-08-8 Molecular Formula: C10H17NO4 Molecular Weight (g/mol): 215.249 MDL Number: MFCD01321012 InChI Key: BUPDPLXLAKNJMI-SSDOTTSWSA-N Synonym: boc-d-allylglycine,r-2-tert-butoxycarbonyl amino pent-4-enoic acid,boc-alpha-allyl-d-gly,boc-d-allyglycine.dcha,2r-2-tert-butoxycarbonyl amino pent-4-enoic acid,4-pentenoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,boc-d-allylglycine.dcha,d-boc-allylglycine,boc-d-allyglycine?dcha,boc-d-allyglycine?cha PubChem CID: 638723 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid SMILES: CC(C)(C)OC(=O)NC(CC=C)C(=O)O

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Specifications

PubChem CID	638723
CAS	170899-08-8
Molecular Weight (g/mol)	215.249
MDL Number	MFCD01321012
SMILES	CC(C)(C)OC(=O)NC(CC=C)C(=O)O
Synonym	boc-d-allylglycine,r-2-tert-butoxycarbonyl amino pent-4-enoic acid,boc-alpha-allyl-d-gly,boc-d-allyglycine.dcha,2r-2-tert-butoxycarbonyl amino pent-4-enoic acid,4-pentenoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,boc-d-allylglycine.dcha,d-boc-allylglycine,boc-d-allyglycine?dcha,boc-d-allyglycine?cha
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
InChI Key	BUPDPLXLAKNJMI-SSDOTTSWSA-N
Molecular Formula	C10H17NO4

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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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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

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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

Copper(II) 2-ethylhexanoate

CAS: 149-11-1 Molecular Formula: C16H32CuO4 Molecular Weight (g/mol): 351.974 MDL Number: MFCD00015695 InChI Key: SZXCZUDYSKBGSX-UHFFFAOYSA-N Synonym: copper bis 2-ethylhexanoate PubChem CID: 85309523 IUPAC Name: copper;2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Cu]

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Specifications

PubChem CID	85309523
CAS	149-11-1
Molecular Weight (g/mol)	351.974
MDL Number	MFCD00015695
SMILES	CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Cu]
Synonym	copper bis 2-ethylhexanoate
IUPAC Name	copper;2-ethylhexanoic acid
InChI Key	SZXCZUDYSKBGSX-UHFFFAOYSA-N
Molecular Formula	C16H32CuO4

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

CAS: 45121-22-0 Molecular Formula: C9H17NO4 Molecular Weight (g/mol): 203.238 MDL Number: MFCD00270335 InChI Key: PNFVIPIQXAIUAY-ZCFIWIBFSA-N Synonym: boc-d-abu-oh,r-2-tert-butoxycarbonyl amino butanoic acid,r-n-boc-2-aminobutyric acid,boc-d-alpha-aminobutyric acid,boc-r-2-aminobutyric acid,boc-d-2-aminobutyric acid,2r-2-tert-butoxycarbonyl amino butanoic acid,2r-2-tert-butoxy carbonyl amino butanoic acid,butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,2-r-tert-butoxycarbonylaminobutyric acid PubChem CID: 2755936 IUPAC Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid SMILES: CCC(C(=O)O)NC(=O)OC(C)(C)C

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PubChem CID	2755936
CAS	45121-22-0
Molecular Weight (g/mol)	203.238
MDL Number	MFCD00270335
SMILES	CCC(C(=O)O)NC(=O)OC(C)(C)C
Synonym	boc-d-abu-oh,r-2-tert-butoxycarbonyl amino butanoic acid,r-n-boc-2-aminobutyric acid,boc-d-alpha-aminobutyric acid,boc-r-2-aminobutyric acid,boc-d-2-aminobutyric acid,2r-2-tert-butoxycarbonyl amino butanoic acid,2r-2-tert-butoxy carbonyl amino butanoic acid,butanoic acid, 2-1,1-dimethylethoxy carbonyl amino-, 2r,2-r-tert-butoxycarbonylaminobutyric acid
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
InChI Key	PNFVIPIQXAIUAY-ZCFIWIBFSA-N
Molecular Formula	C9H17NO4

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Dodecanoic acid, 98%

CAS: 143-07-7 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	3893
CAS	143-07-7
Molecular Weight (g/mol)	200.322
ChEBI	CHEBI:30805
MDL Number	MFCD00002736
SMILES	CCCCCCCCCCCC(=O)O
Synonym	lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12
IUPAC Name	dodecanoic acid
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C12H24O2

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trans-2,3-Dimethylacrylic Acid, 98%

CAS: 80-59-1 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00066864 InChI Key: UIERETOOQGIECD-ONEGZZNKSA-N Synonym: tiglic acid,tiglinic acid,cevadic acid,2-methyl-2-butenoic acid,trans-2-methylcrotonic acid,trans-2,3-dimethylacrylic acid,2-methylbut-2-enoic acid,e-2-methyl-2-butenoic acid,trans-2-methyl-2-butenoic acid,e-2,3-dimethylacrylic acid PubChem CID: 125468 ChEBI: CHEBI:9592 IUPAC Name: (E)-2-methylbut-2-enoic acid SMILES: C\C=C(/C)C(O)=O

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Specifications

PubChem CID	125468
CAS	80-59-1
Molecular Weight (g/mol)	100.12
ChEBI	CHEBI:9592
MDL Number	MFCD00066864
SMILES	C\C=C(/C)C(O)=O
Synonym	tiglic acid,tiglinic acid,cevadic acid,2-methyl-2-butenoic acid,trans-2-methylcrotonic acid,trans-2,3-dimethylacrylic acid,2-methylbut-2-enoic acid,e-2-methyl-2-butenoic acid,trans-2-methyl-2-butenoic acid,e-2,3-dimethylacrylic acid
IUPAC Name	(E)-2-methylbut-2-enoic acid
InChI Key	UIERETOOQGIECD-ONEGZZNKSA-N
Molecular Formula	C5H8O2

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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

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