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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1 – 15 of 568 results

Monomethyl adipate, 97%

CAS: 627-91-8 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004418 InChI Key: UOBSVARXACCLLH-UHFFFAOYSA-N Synonym: monomethyl adipate,adipic acid monomethyl ester,methyl hydrogen adipate,methyl adipate,methyl hemiadipate,hexanedioic acid, monomethyl ester,5-carbomethoxypentanoic acid,monomethyl 1,6-hexanedioate,adipic acid, monomethyl ester,hexanedioic acid, 1-methyl ester PubChem CID: 12328 ChEBI: CHEBI:70855 IUPAC Name: 6-methoxy-6-oxohexanoic acid SMILES: COC(=O)CCCCC(O)=O

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PubChem CID	12328
CAS	627-91-8
Molecular Weight (g/mol)	160.17
ChEBI	CHEBI:70855
MDL Number	MFCD00004418
SMILES	COC(=O)CCCCC(O)=O
Synonym	monomethyl adipate,adipic acid monomethyl ester,methyl hydrogen adipate,methyl adipate,methyl hemiadipate,hexanedioic acid, monomethyl ester,5-carbomethoxypentanoic acid,monomethyl 1,6-hexanedioate,adipic acid, monomethyl ester,hexanedioic acid, 1-methyl ester
IUPAC Name	6-methoxy-6-oxohexanoic acid
InChI Key	UOBSVARXACCLLH-UHFFFAOYSA-N
Molecular Formula	C7H12O4

Itaconic acid, 99+%

CAS: 97-65-4 Molecular Formula: C₅H₆O₄ Molecular Weight (g/mol): 130.1 InChI Key: LVHBHZANLOWSRM-UHFFFAOYSA-N Synonym: itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid PubChem CID: 811 ChEBI: CHEBI:30838 IUPAC Name: 2-methylidenebutanedioic acid SMILES: C=C(CC(=O)O)C(=O)O

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Specifications

PubChem CID	811
CAS	97-65-4
Molecular Weight (g/mol)	130.1
ChEBI	CHEBI:30838
SMILES	C=C(CC(=O)O)C(=O)O
Synonym	itaconic acid,2-methylenesuccinic acid,methylenesuccinic acid,methylenebutanedioic acid,propylenedicarboxylic acid,itaconate,2-propene-1,2-dicarboxylic acid,butanedioic acid, methylene,succinic acid, methylene,2-methylenebutanedioic acid
IUPAC Name	2-methylidenebutanedioic acid
InChI Key	LVHBHZANLOWSRM-UHFFFAOYSA-N
Molecular Formula	C₅H₆O₄

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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Specifications

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

Linoleic acid, tech. 75%

CAS: 60-33-3 Molecular Formula: C18H32O2 Molecular Weight (g/mol): 280.452 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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Specifications

PubChem CID	5280450
CAS	60-33-3
Molecular Weight (g/mol)	280.452
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

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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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

6-Bromohexanoic acid, 98%

CAS: 4224-70-8 Molecular Formula: C₆H₁₁BrO₂ Molecular Weight (g/mol): 195.06 InChI Key: NVRVNSHHLPQGCU-UHFFFAOYSA-N Synonym: 6-bromocaproic acid,hexanoic acid, 6-bromo,6-bromo-hexanoic acid,6-bromo-n-caproic acid,6-bromo hexanoic acid,epsilon-bromo caproic acid,6-bromo hexanoicacid,6bromohexanoic acid,6-bromo-hexanicacid,6-bromo-caproic acid PubChem CID: 20210 ChEBI: CHEBI:60700 IUPAC Name: 6-bromohexanoic acid SMILES: C(CCC(=O)O)CCBr

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Specifications

PubChem CID	20210
CAS	4224-70-8
Molecular Weight (g/mol)	195.06
ChEBI	CHEBI:60700
SMILES	C(CCC(=O)O)CCBr
Synonym	6-bromocaproic acid,hexanoic acid, 6-bromo,6-bromo-hexanoic acid,6-bromo-n-caproic acid,6-bromo hexanoic acid,epsilon-bromo caproic acid,6-bromo hexanoicacid,6bromohexanoic acid,6-bromo-hexanicacid,6-bromo-caproic acid
IUPAC Name	6-bromohexanoic acid
InChI Key	NVRVNSHHLPQGCU-UHFFFAOYSA-N
Molecular Formula	C₆H₁₁BrO₂

5-Bromovaleric acid, 97%

CAS: 2067-33-6 Molecular Formula: C₅H₉BrO₂ Molecular Weight (g/mol): 181.03 MDL Number: MFCD00004414 InChI Key: WNXNUPJZWYOKMW-UHFFFAOYSA-N Synonym: 5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid PubChem CID: 16368 IUPAC Name: 5-bromopentanoic acid SMILES: C(CCBr)CC(=O)O

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PubChem CID	16368
CAS	2067-33-6
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00004414
SMILES	C(CCBr)CC(=O)O
Synonym	5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid
IUPAC Name	5-bromopentanoic acid
InChI Key	WNXNUPJZWYOKMW-UHFFFAOYSA-N
Molecular Formula	C₅H₉BrO₂

Adipic acid monoethyl ester, 95%

CAS: 626-86-8 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00004419 InChI Key: UZNLHJCCGYKCIL-UHFFFAOYSA-N Synonym: adipic acid monoethyl ester,monoethyl adipate,ethyl hydrogen adipate,hexanedioic acid, monoethyl ester,monoethyl hexanedioate,monoethyladipic acid ester,adipic acid, monoethyl ester,mono-ethyl adipate,hexanedioic acid, 1-ethyl ester,hexanoic acid, monoethyl ester PubChem CID: 12295 IUPAC Name: 6-ethoxy-6-oxohexanoic acid SMILES: CCOC(=O)CCCCC(=O)O

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Specifications

PubChem CID	12295
CAS	626-86-8
Molecular Weight (g/mol)	174.196
MDL Number	MFCD00004419
SMILES	CCOC(=O)CCCCC(=O)O
Synonym	adipic acid monoethyl ester,monoethyl adipate,ethyl hydrogen adipate,hexanedioic acid, monoethyl ester,monoethyl hexanedioate,monoethyladipic acid ester,adipic acid, monoethyl ester,mono-ethyl adipate,hexanedioic acid, 1-ethyl ester,hexanoic acid, monoethyl ester
IUPAC Name	6-ethoxy-6-oxohexanoic acid
InChI Key	UZNLHJCCGYKCIL-UHFFFAOYSA-N
Molecular Formula	C8H14O4

Oleic acid, sodium salt, 65-90% oleic C18

CAS: 143-19-1 Molecular Formula: C₁₈H₃₃NaO₂ Molecular Weight (g/mol): 304.44 MDL Number: MFCD00004438 InChI Key: BCKXLBQYZLBQEK-KVVVOXFISA-M Synonym: sodium oleic acid PubChem CID: 23665730 ChEBI: CHEBI:81860 IUPAC Name: sodium;(Z)-octadec-9-enoate SMILES: CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+]

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Specifications

PubChem CID	23665730
CAS	143-19-1
Molecular Weight (g/mol)	304.44
ChEBI	CHEBI:81860
MDL Number	MFCD00004438
SMILES	CCCCCCCCC=CCCCCCCCC(=O)[O-].[Na+]
Synonym	sodium oleic acid
IUPAC Name	sodium;(Z)-octadec-9-enoate
InChI Key	BCKXLBQYZLBQEK-KVVVOXFISA-M
Molecular Formula	C₁₈H₃₃NaO₂

2-Methylheptanoic acid, 98%

CAS: 1188-02-9 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00142944 InChI Key: NKBWMBRPILTCRD-UHFFFAOYSA-N Synonym: 2-methylenanthic acid,heptanoic acid, 2-methyl,methylamylacetic acid,2-methyl-heptanoic acid,heptanoic acid, methyl,alpha-methylheptanoic acid,2-methyl heptanoic acid,heptane-2-carboxylic acid,fema no. 2706,heptanoic acid, 2-methyl-, 2s PubChem CID: 14475 IUPAC Name: 2-methylheptanoic acid SMILES: CCCCCC(C)C(=O)O

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Specifications

PubChem CID	14475
CAS	1188-02-9
Molecular Weight (g/mol)	144.214
MDL Number	MFCD00142944
SMILES	CCCCCC(C)C(=O)O
Synonym	2-methylenanthic acid,heptanoic acid, 2-methyl,methylamylacetic acid,2-methyl-heptanoic acid,heptanoic acid, methyl,alpha-methylheptanoic acid,2-methyl heptanoic acid,heptane-2-carboxylic acid,fema no. 2706,heptanoic acid, 2-methyl-, 2s
IUPAC Name	2-methylheptanoic acid
InChI Key	NKBWMBRPILTCRD-UHFFFAOYSA-N
Molecular Formula	C8H16O2

Pimelic Acid, 98%

CAS: 111-16-0 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 MDL Number: MFCD00004425 InChI Key: WLJVNTCWHIRURA-UHFFFAOYSA-N Synonym: pimelic acid,1,5-pentanedicarboxylic acid,pileric acid,heptandioic acid,heptane-1,7-dioic acid,pimelate,6-carboxyhexanoate,6-carboxyhexanoic acid,1,7-heptanedioic acid,unii-bzq96wx25f PubChem CID: 385 ChEBI: CHEBI:30531 IUPAC Name: heptanedioic acid SMILES: OC(=O)CCCCCC(O)=O

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Specifications

PubChem CID	385
CAS	111-16-0
Molecular Weight (g/mol)	160.17
ChEBI	CHEBI:30531
MDL Number	MFCD00004425
SMILES	OC(=O)CCCCCC(O)=O
Synonym	pimelic acid,1,5-pentanedicarboxylic acid,pileric acid,heptandioic acid,heptane-1,7-dioic acid,pimelate,6-carboxyhexanoate,6-carboxyhexanoic acid,1,7-heptanedioic acid,unii-bzq96wx25f
IUPAC Name	heptanedioic acid
InChI Key	WLJVNTCWHIRURA-UHFFFAOYSA-N
Molecular Formula	C7H12O4

Docosanoic acid, 85%, technical

CAS: 112-85-6 Molecular Formula: C₂₂H₄₄O₂ Molecular Weight (g/mol): 340.58 MDL Number: MFCD00002807 InChI Key: UKMSUNONTOPOIO-UHFFFAOYSA-N Synonym: behenic acid,1-docosanoic acid,n-docosanoic acid,hydrofol acid 560,docosoic acid,hydrofol 2022-55,glycon b-70,behensaeure,docosanoicacid,docosansaeure PubChem CID: 8215 ChEBI: CHEBI:28941 IUPAC Name: docosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	8215
CAS	112-85-6
Molecular Weight (g/mol)	340.58
ChEBI	CHEBI:28941
MDL Number	MFCD00002807
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	behenic acid,1-docosanoic acid,n-docosanoic acid,hydrofol acid 560,docosoic acid,hydrofol 2022-55,glycon b-70,behensaeure,docosanoicacid,docosansaeure
IUPAC Name	docosanoic acid
InChI Key	UKMSUNONTOPOIO-UHFFFAOYSA-N
Molecular Formula	C₂₂H₄₄O₂

Fatty acid conjugates

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