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.

1 – 15 of 397 results

2-Ethylhexanoic acid, 99%, Thermo Scientific Chemicals

CAS: 149-57-5 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O

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Specifications

PubChem CID	8697
CAS	149-57-5
MDL Number	MFCD00002675
SMILES	CCCCC(CC)C(=O)O
Synonym	2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid
IUPAC Name	2-ethylhexanoic acid
InChI Key	OBETXYAYXDNJHR-UHFFFAOYSA-N

3-Cyclohexylpropionic acid, 98+%, Thermo Scientific Chemicals

CAS: 701-97-3 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD00001527 InChI Key: HJZLEGIHUQOJBA-UHFFFAOYSA-N Synonym: cyclohexanepropionic acid,3-cyclohexylpropionic acid,cyclohexanepropanoic acid,3-cyclohexanepropionic acid,cyclohexane propionic acid,unii-u36w9hnv6d,3-cyclohexyl propionic acid,3-cyclohexyl-propionic acid,u36w9hnv6d,cyclohexyl propionic acid PubChem CID: 69702 IUPAC Name: 3-cyclohexylpropanoic acid SMILES: OC(=O)CCC1CCCCC1

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Specifications

PubChem CID	69702
CAS	701-97-3
Molecular Weight (g/mol)	156.23
MDL Number	MFCD00001527
SMILES	OC(=O)CCC1CCCCC1
Synonym	cyclohexanepropionic acid,3-cyclohexylpropionic acid,cyclohexanepropanoic acid,3-cyclohexanepropionic acid,cyclohexane propionic acid,unii-u36w9hnv6d,3-cyclohexyl propionic acid,3-cyclohexyl-propionic acid,u36w9hnv6d,cyclohexyl propionic acid
IUPAC Name	3-cyclohexylpropanoic acid
InChI Key	HJZLEGIHUQOJBA-UHFFFAOYSA-N
Molecular Formula	C9H16O2

trans-2-Hexenoic acid, 96%, Thermo Scientific Chemicals

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

Cyclohexanepropionic acid, 99%, Thermo Scientific Chemicals

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Specifications

PubChem CID	69702
CAS	701-97-3
Molecular Weight (g/mol)	156.23
MDL Number	MFCD00001527
SMILES	OC(=O)CCC1CCCCC1
Synonym	cyclohexanepropionic acid,3-cyclohexylpropionic acid,cyclohexanepropanoic acid,3-cyclohexanepropionic acid,cyclohexane propionic acid,unii-u36w9hnv6d,3-cyclohexyl propionic acid,3-cyclohexyl-propionic acid,u36w9hnv6d,cyclohexyl propionic acid
IUPAC Name	3-cyclohexylpropanoic acid
InChI Key	HJZLEGIHUQOJBA-UHFFFAOYSA-N
Molecular Formula	C9H16O2

4-Ethyloctanoic acid, 97%, Thermo Scientific Chemicals

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

trans-3-Hexenoic acid, 97%, Thermo Scientific Chemicals

CAS: 1577-18-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00002786 InChI Key: XXHDAWYDNSXJQM-ONEGZZNKSA-N Synonym: trans-3-hexenoic acid,hydrosorbic acid,3-hexenoic acid,e-hex-3-enoic acid,3-hexenoic acid, 3e,e-3-hexenoic acid,3-hexenoic acid, e,trans-hex-3-enoic acid,unii-9b3n069edg,fema no. 3170 PubChem CID: 5282708 ChEBI: CHEBI:49285 IUPAC Name: (E)-hex-3-enoic acid SMILES: CC\C=C\CC(O)=O

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Specifications

PubChem CID	5282708
CAS	1577-18-0
Molecular Weight (g/mol)	114.14
ChEBI	CHEBI:49285
MDL Number	MFCD00002786
SMILES	CC\C=C\CC(O)=O
Synonym	trans-3-hexenoic acid,hydrosorbic acid,3-hexenoic acid,e-hex-3-enoic acid,3-hexenoic acid, 3e,e-3-hexenoic acid,3-hexenoic acid, e,trans-hex-3-enoic acid,unii-9b3n069edg,fema no. 3170
IUPAC Name	(E)-hex-3-enoic acid
InChI Key	XXHDAWYDNSXJQM-ONEGZZNKSA-N
Molecular Formula	C6H10O2

Pimelic acid, 98%, Thermo Scientific Chemicals

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

Lactobionic acid, 97%, Thermo Scientific Chemicals

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

2-Ethylbutyric acid, 98%, Thermo Scientific Chemicals

CAS: 88-09-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002670 InChI Key: OXQGTIUCKGYOAA-UHFFFAOYSA-N Synonym: 2-ethylbutyric acid,diethylacetic acid,butanoic acid, 2-ethyl,acetic acid, diethyl,3-pentanecarboxylic acid,2-ethyl butanoic acid,diethyl acetic acid,butyric acid, 2-ethyl,2-ethyl-butyric acid,alpha-ethylbutyric acid PubChem CID: 6915 IUPAC Name: 2-ethylbutanoic acid SMILES: CCC(CC)C(=O)O

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Specifications

PubChem CID	6915
CAS	88-09-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00002670
SMILES	CCC(CC)C(=O)O
Synonym	2-ethylbutyric acid,diethylacetic acid,butanoic acid, 2-ethyl,acetic acid, diethyl,3-pentanecarboxylic acid,2-ethyl butanoic acid,diethyl acetic acid,butyric acid, 2-ethyl,2-ethyl-butyric acid,alpha-ethylbutyric acid
IUPAC Name	2-ethylbutanoic acid
InChI Key	OXQGTIUCKGYOAA-UHFFFAOYSA-N
Molecular Formula	C6H12O2

2,2-Dimethylhexanoic acid, 94%, Thermo Scientific Chemicals

CAS: 813-72-9 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00965097 InChI Key: YTTWDTVYXAEAJA-UHFFFAOYSA-N Synonym: 2,2-dimethyl-hexanoic acid,hexanoic acid,2,2-dimethyl,2,2-dimethylhexanoicacid,dimethylhexanoic acid,dimethyl-hexanoic acid,acmc-209plb,2,2-dimethyl hexanoic acid,#,hexanoic acid, 2,2-dimethyl,yttwdtvyxaeaja-uhfffaoysa PubChem CID: 163217 IUPAC Name: 2,2-dimethylhexanoic acid SMILES: CCCCC(C)(C)C(O)=O

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Specifications

PubChem CID	163217
CAS	813-72-9
Molecular Weight (g/mol)	144.21
MDL Number	MFCD00965097
SMILES	CCCCC(C)(C)C(O)=O
Synonym	2,2-dimethyl-hexanoic acid,hexanoic acid,2,2-dimethyl,2,2-dimethylhexanoicacid,dimethylhexanoic acid,dimethyl-hexanoic acid,acmc-209plb,2,2-dimethyl hexanoic acid,#,hexanoic acid, 2,2-dimethyl,yttwdtvyxaeaja-uhfffaoysa
IUPAC Name	2,2-dimethylhexanoic acid
InChI Key	YTTWDTVYXAEAJA-UHFFFAOYSA-N
Molecular Formula	C8H16O2

5-Methylhexanoic acid, 98%, Thermo Scientific Chemicals

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

2-Methylheptanoic acid, 98%, Thermo Scientific Chemicals

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

Oleic acid, tech. 90%, Thermo Scientific Chemicals

CAS: 112-80-1 Molecular Formula: C18H34O2 Molecular Weight (g/mol): 282.47 MDL Number: MFCD00064242 InChI Key: ZQPPMHVWECSIRJ-MDZDMXLPSA-N Synonym: oleic acid,cis-9-octadecenoic acid,cis-oleic acid,elaidoic acid,oleate,glycon wo,wecoline oo,pamolyn 100,glycon ro,z-octadec-9-enoic acid PubChem CID: 445639 ChEBI: CHEBI:16196 SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

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PubChem CID	445639
CAS	112-80-1
Molecular Weight (g/mol)	282.47
ChEBI	CHEBI:16196
MDL Number	MFCD00064242
SMILES	CCCCCCCC\C=C\CCCCCCCC(O)=O
Synonym	oleic acid,cis-9-octadecenoic acid,cis-oleic acid,elaidoic acid,oleate,glycon wo,wecoline oo,pamolyn 100,glycon ro,z-octadec-9-enoic acid
InChI Key	ZQPPMHVWECSIRJ-MDZDMXLPSA-N
Molecular Formula	C18H34O2

Oleic acid, 99%, Thermo Scientific Chemicals

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Specifications

PubChem CID	445639
CAS	112-80-1
Molecular Weight (g/mol)	282.47
ChEBI	CHEBI:16196
MDL Number	MFCD00064242
SMILES	CCCCCCCC\C=C\CCCCCCCC(O)=O
Synonym	oleic acid,cis-9-octadecenoic acid,cis-oleic acid,elaidoic acid,oleate,glycon wo,wecoline oo,pamolyn 100,glycon ro,z-octadec-9-enoic acid
IUPAC Name	(Z)-octadec-9-enoic acid
InChI Key	ZQPPMHVWECSIRJ-MDZDMXLPSA-N
Molecular Formula	C18H34O2

Stearic acid, 97%, Thermo Scientific Chemicals

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

Fatty acid conjugates

Fatty acid conjugates

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