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-Cyanobutyric acid, 95%

CAS: 39201-33-7 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.116 MDL Number: MFCD00218781 InChI Key: YXBVMSQDRLXPQV-UHFFFAOYSA-N Synonym: 4-cyanobutyric acid,butanoic acid, 4-cyano,4-cyanobutanoicacid PubChem CID: 38239 IUPAC Name: 4-cyanobutanoic acid SMILES: C(CC#N)CC(=O)O

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Specifications

PubChem CID	38239
CAS	39201-33-7
Molecular Weight (g/mol)	113.116
MDL Number	MFCD00218781
SMILES	C(CC#N)CC(=O)O
Synonym	4-cyanobutyric acid,butanoic acid, 4-cyano,4-cyanobutanoicacid
IUPAC Name	4-cyanobutanoic acid
InChI Key	YXBVMSQDRLXPQV-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

Ethyl hydrogen sebacate, 98%

CAS: 693-55-0 Molecular Formula: C12H22O4 Molecular Weight (g/mol): 230.304 MDL Number: MFCD00014387 InChI Key: DLZCDMPHHUODDO-UHFFFAOYSA-N Synonym: ethyl hydrogen sebacate,monoethyl sebacate,sebacic acid, monoethyl ester,decanedioic acid monoethyl ester,decanedioic acid, 1-ethyl ester,decanedioic acid, monoethyl ester,sebacinsaureathylester,mono-ethyl sebacate,sebacic acid 1-ethyl ester,decanedioic acid 1-ethyl ester PubChem CID: 69660 IUPAC Name: 10-ethoxy-10-oxodecanoic acid SMILES: CCOC(=O)CCCCCCCCC(=O)O

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Specifications

PubChem CID	69660
CAS	693-55-0
Molecular Weight (g/mol)	230.304
MDL Number	MFCD00014387
SMILES	CCOC(=O)CCCCCCCCC(=O)O
Synonym	ethyl hydrogen sebacate,monoethyl sebacate,sebacic acid, monoethyl ester,decanedioic acid monoethyl ester,decanedioic acid, 1-ethyl ester,decanedioic acid, monoethyl ester,sebacinsaureathylester,mono-ethyl sebacate,sebacic acid 1-ethyl ester,decanedioic acid 1-ethyl ester
IUPAC Name	10-ethoxy-10-oxodecanoic acid
InChI Key	DLZCDMPHHUODDO-UHFFFAOYSA-N
Molecular Formula	C12H22O4

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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Specifications

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

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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Specifications

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

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

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

Succinamic acid, 97%

CAS: 638-32-4 Molecular Formula: C4H7NO3 Molecular Weight (g/mol): 117.10 MDL Number: MFCD00008041 InChI Key: JDVPQXZIJDEHAN-UHFFFAOYSA-N Synonym: succinamic acid,butanoic acid, 4-amino-4-oxo,succinic acid monoamide,3-carbamoylpropanoic acid,succinamidic acid,acmc-1b64y,3-c-hydroxycarbonimidoyl propanoic acid PubChem CID: 12522 ChEBI: CHEBI:50398 IUPAC Name: 4-amino-4-oxobutanoic acid SMILES: NC(=O)CCC(O)=O

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Specifications

PubChem CID	12522
CAS	638-32-4
Molecular Weight (g/mol)	117.10
ChEBI	CHEBI:50398
MDL Number	MFCD00008041
SMILES	NC(=O)CCC(O)=O
Synonym	succinamic acid,butanoic acid, 4-amino-4-oxo,succinic acid monoamide,3-carbamoylpropanoic acid,succinamidic acid,acmc-1b64y,3-c-hydroxycarbonimidoyl propanoic acid
IUPAC Name	4-amino-4-oxobutanoic acid
InChI Key	JDVPQXZIJDEHAN-UHFFFAOYSA-N
Molecular Formula	C4H7NO3

Hexafluoroglutaric acid, 98%

CAS: 376-73-8 Molecular Formula: C5H2F6O4 Molecular Weight (g/mol): 240.06 MDL Number: MFCD00004172 InChI Key: CCUWGJDGLACFQT-UHFFFAOYSA-N Synonym: hexafluoroglutaric acid,perfluoroglutaric acid,hexafluoropentanedioic acid,pentanedioic acid, hexafluoro,glutaric acid, hexafluoro,pentanedioic acid, 2,2,3,3,4,4-hexafluoro,acmc-209iut,perfluoropentanedioic acid,glutaric acid, hexafluoro-8ci PubChem CID: 67827 SMILES: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(O)=O

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Specifications

PubChem CID	67827
CAS	376-73-8
Molecular Weight (g/mol)	240.06
MDL Number	MFCD00004172
SMILES	OC(=O)C(F)(F)C(F)(F)C(F)(F)C(O)=O
Synonym	hexafluoroglutaric acid,perfluoroglutaric acid,hexafluoropentanedioic acid,pentanedioic acid, hexafluoro,glutaric acid, hexafluoro,pentanedioic acid, 2,2,3,3,4,4-hexafluoro,acmc-209iut,perfluoropentanedioic acid,glutaric acid, hexafluoro-8ci
InChI Key	CCUWGJDGLACFQT-UHFFFAOYSA-N
Molecular Formula	C5H2F6O4

16-Hydroxyhexadecanoic acid, 97%

CAS: 506-13-8 Molecular Formula: C16H32O3 Molecular Weight (g/mol): 272.429 MDL Number: MFCD00002750 InChI Key: UGAGPNKCDRTDHP-UHFFFAOYSA-N Synonym: juniperic acid,16-hydroxypalmitic acid,hexadecanoic acid, 16-hydroxy,palmitic acid, 16-hydroxy,omega-hydroxypalmitic acid,16-hydroxy-hexadecanoic acid,unii-7ipp3u0f3i,.omega.-hydroxypalmitic acid,7ipp3u0f3i,16-hydroxy hexadecanoic acid PubChem CID: 10466 ChEBI: CHEBI:55328 IUPAC Name: 16-hydroxyhexadecanoic acid SMILES: C(CCCCCCCC(=O)O)CCCCCCCO

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Specifications

PubChem CID	10466
CAS	506-13-8
Molecular Weight (g/mol)	272.429
ChEBI	CHEBI:55328
MDL Number	MFCD00002750
SMILES	C(CCCCCCCC(=O)O)CCCCCCCO
Synonym	juniperic acid,16-hydroxypalmitic acid,hexadecanoic acid, 16-hydroxy,palmitic acid, 16-hydroxy,omega-hydroxypalmitic acid,16-hydroxy-hexadecanoic acid,unii-7ipp3u0f3i,.omega.-hydroxypalmitic acid,7ipp3u0f3i,16-hydroxy hexadecanoic acid
IUPAC Name	16-hydroxyhexadecanoic acid
InChI Key	UGAGPNKCDRTDHP-UHFFFAOYSA-N
Molecular Formula	C16H32O3

2-Bromobutyric acid, 99%

CAS: 80-58-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00004216,MFCD00210111,MFCD00210112 InChI Key: YAQLSKVCTLCIIE-UHFFFAOYNA-N Synonym: 2-bromobutyric acid,alpha-bromobutyric acid,butanoic acid, 2-bromo,butyric acid, 2-bromo,.alpha.-bromobytyric acid,butyric acid, .alpha.-bromo,dl-2-bromobutyric acid,a-bromobutyric acid,butyric acid, alpha-bromo,bromobutyric acid PubChem CID: 6655 IUPAC Name: 2-bromobutanoic acid SMILES: CCC(Br)C(O)=O

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Specifications

PubChem CID	6655
CAS	80-58-0
Molecular Weight (g/mol)	167.00
MDL Number	MFCD00004216,MFCD00210111,MFCD00210112
SMILES	CCC(Br)C(O)=O
Synonym	2-bromobutyric acid,alpha-bromobutyric acid,butanoic acid, 2-bromo,butyric acid, 2-bromo,.alpha.-bromobytyric acid,butyric acid, .alpha.-bromo,dl-2-bromobutyric acid,a-bromobutyric acid,butyric acid, alpha-bromo,bromobutyric acid
IUPAC Name	2-bromobutanoic acid
InChI Key	YAQLSKVCTLCIIE-UHFFFAOYNA-N
Molecular Formula	C4H7BrO2

Methyl hydrogen suberate, 98%

CAS: 3946-32-5 Molecular Formula: C9H15O4 Molecular Weight (g/mol): 187.22 MDL Number: MFCD00004427 InChI Key: KOVPXZDUVJGGFU-UHFFFAOYSA-M Synonym: suberic acid monomethyl ester,monomethyl suberate,methyl hydrogen suberate,subericacidmonomethylester,octanedioic acid monomethyl ester,mono-methyl suberate,acmc-1ckw1,ksc492m6f,7-methoxycarbonylheptanoic acid,octanedioic acid 1-methyl ester PubChem CID: 554191 IUPAC Name: 8-methoxy-8-oxooctanoic acid SMILES: COC(=O)CCCCCCC([O-])=O

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Specifications

PubChem CID	554191
CAS	3946-32-5
Molecular Weight (g/mol)	187.22
MDL Number	MFCD00004427
SMILES	COC(=O)CCCCCCC([O-])=O
Synonym	suberic acid monomethyl ester,monomethyl suberate,methyl hydrogen suberate,subericacidmonomethylester,octanedioic acid monomethyl ester,mono-methyl suberate,acmc-1ckw1,ksc492m6f,7-methoxycarbonylheptanoic acid,octanedioic acid 1-methyl ester
IUPAC Name	8-methoxy-8-oxooctanoic acid
InChI Key	KOVPXZDUVJGGFU-UHFFFAOYSA-M
Molecular Formula	C9H15O4

5-Methylhexanoic acid, 98%

CAS: 628-46-6 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00036494 InChI Key: MHPUGCYGQWGLJL-UHFFFAOYSA-N Synonym: isoheptanoic acid,isoenanthic acid,5-methylcaproic acid,isoamylacetic acid,hexanoic acid, 5-methyl,isovenanthic acid,5-methylhexylic acid,5-methyl-hexanoic acid,5-methyl hexanoic acid,unii-n1ak4x34c2 PubChem CID: 12344 IUPAC Name: 5-methylhexanoic acid SMILES: CC(C)CCCC(O)=O

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Specifications

PubChem CID	12344
CAS	628-46-6
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00036494
SMILES	CC(C)CCCC(O)=O
Synonym	isoheptanoic acid,isoenanthic acid,5-methylcaproic acid,isoamylacetic acid,hexanoic acid, 5-methyl,isovenanthic acid,5-methylhexylic acid,5-methyl-hexanoic acid,5-methyl hexanoic acid,unii-n1ak4x34c2
IUPAC Name	5-methylhexanoic acid
InChI Key	MHPUGCYGQWGLJL-UHFFFAOYSA-N
Molecular Formula	C7H14O2

N(alpha)-Boc-L-arginine, 98%

CAS: 13726-76-6 Molecular Formula: C11H22N4O4 Molecular Weight (g/mol): 274.321 MDL Number: MFCD00042632 InChI Key: HSQIYOPBCOPMSS-ZETCQYMHSA-N Synonym: boc-arg-oh,boc-arginine,s-2-tert-butoxycarbonyl amino-5-guanidinopentanoic acid,boc-l-arg-oh,n2-tert-butoxycarbonyl-l-arginine,n-boc-l-arginine,na-tert-butoxycarbonyl-l-arginine,n-t-boc-l-arginine,n alpha-boc-l-arginine,n∼2∼-tert-butoxycarbonyl-l-arginine PubChem CID: 114667 IUPAC Name: (2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid SMILES: CC(C)(C)OC(=O)NC(CCCN=C(N)N)C(=O)O

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Specifications

PubChem CID	114667
CAS	13726-76-6
Molecular Weight (g/mol)	274.321
MDL Number	MFCD00042632
SMILES	CC(C)(C)OC(=O)NC(CCCN=C(N)N)C(=O)O
Synonym	boc-arg-oh,boc-arginine,s-2-tert-butoxycarbonyl amino-5-guanidinopentanoic acid,boc-l-arg-oh,n2-tert-butoxycarbonyl-l-arginine,n-boc-l-arginine,na-tert-butoxycarbonyl-l-arginine,n-t-boc-l-arginine,n alpha-boc-l-arginine,n∼2∼-tert-butoxycarbonyl-l-arginine
IUPAC Name	(2S)-5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
InChI Key	HSQIYOPBCOPMSS-ZETCQYMHSA-N
Molecular Formula	C11H22N4O4

N,N-Dimethylsuccinamic acid, 98%

CAS: 2564-95-6 Molecular Formula: C6H11NO3 Molecular Weight (g/mol): 145.158 MDL Number: MFCD00043505 InChI Key: WAIGPJMZARQZDX-UHFFFAOYSA-N Synonym: n,n-dimethylsuccinamic acid,4-dimethylamino-4-oxobutanoic acid,nn-dimethylsuccinamic acid,butanoic acid, 4-dimethylamino-4-oxo,n,n-dimethylsuccinic acid monoamide,3-dimethylcarbamoyl propanoic acid,succinamic acid, n,n-dimethyl,n-dimethyl-succinamic acid,acmc-20ak89,succinamic acid,n-dimethyl PubChem CID: 75717 IUPAC Name: 4-(dimethylamino)-4-oxobutanoic acid SMILES: CN(C)C(=O)CCC(=O)O

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Specifications

PubChem CID	75717
CAS	2564-95-6
Molecular Weight (g/mol)	145.158
MDL Number	MFCD00043505
SMILES	CN(C)C(=O)CCC(=O)O
Synonym	n,n-dimethylsuccinamic acid,4-dimethylamino-4-oxobutanoic acid,nn-dimethylsuccinamic acid,butanoic acid, 4-dimethylamino-4-oxo,n,n-dimethylsuccinic acid monoamide,3-dimethylcarbamoyl propanoic acid,succinamic acid, n,n-dimethyl,n-dimethyl-succinamic acid,acmc-20ak89,succinamic acid,n-dimethyl
IUPAC Name	4-(dimethylamino)-4-oxobutanoic acid
InChI Key	WAIGPJMZARQZDX-UHFFFAOYSA-N
Molecular Formula	C6H11NO3

Fatty acid conjugates

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