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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91 – 105 of 2,238 results

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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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

Lactobionic acid, 97%

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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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

(S)-(+)-2-Hydroxy-3-methylbutanoic acid, 99+%

CAS: 17407-55-5 Molecular Formula: C5H9O3 Molecular Weight (g/mol): 117.13 MDL Number: MFCD00066443 InChI Key: NGEWQZIDQIYUNV-BYPYZUCNSA-M Synonym: s-+-2-hydroxy-3-methylbutyric acid,s-2-hydroxy-3-methylbutanoic acid,l-alpha-hydroxyisovaleric acid,s-2-hydroxy-3-methylbutyric acid,2s-2-hydroxy-3-methylbutanoic acid,unii-rub6h7st9k,s-2-hydroxyisovaleric acid,s-+-2-hydroxy-3-methylbutanoic acid,butanoic acid, 2-hydroxy-3-methyl-, 2s,rub6h7st9k PubChem CID: 853180 ChEBI: CHEBI:60631 IUPAC Name: (2S)-2-hydroxy-3-methylbutanoic acid SMILES: CC(C)[C@H](O)C([O-])=O

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PubChem CID	853180
CAS	17407-55-5
Molecular Weight (g/mol)	117.13
ChEBI	CHEBI:60631
MDL Number	MFCD00066443
SMILES	CC(C)[C@H](O)C([O-])=O
Synonym	s-+-2-hydroxy-3-methylbutyric acid,s-2-hydroxy-3-methylbutanoic acid,l-alpha-hydroxyisovaleric acid,s-2-hydroxy-3-methylbutyric acid,2s-2-hydroxy-3-methylbutanoic acid,unii-rub6h7st9k,s-2-hydroxyisovaleric acid,s-+-2-hydroxy-3-methylbutanoic acid,butanoic acid, 2-hydroxy-3-methyl-, 2s,rub6h7st9k
IUPAC Name	(2S)-2-hydroxy-3-methylbutanoic acid
InChI Key	NGEWQZIDQIYUNV-BYPYZUCNSA-M
Molecular Formula	C5H9O3

(R)-N-BOC-Allylglycine, 95%, 98% ee

CAS: 170899-08-8 Molecular Formula: C₁₀H₁₇NO₄ Molecular Weight (g/mol): 215.25 MDL Number: MFCD01320882 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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PubChem CID	638723
CAS	170899-08-8
Molecular Weight (g/mol)	215.25
MDL Number	MFCD01320882
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

3-Hydroxy-3-methylbutyric acid, 96%

CAS: 625-08-1 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00059081 InChI Key: AXFYFNCPONWUHW-UHFFFAOYSA-N Synonym: beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate PubChem CID: 69362 ChEBI: CHEBI:37084 IUPAC Name: 3-hydroxy-3-methylbutanoic acid SMILES: CC(C)(O)CC(O)=O

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PubChem CID	69362
CAS	625-08-1
Molecular Weight (g/mol)	118.13
ChEBI	CHEBI:37084
MDL Number	MFCD00059081
SMILES	CC(C)(O)CC(O)=O
Synonym	beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate
IUPAC Name	3-hydroxy-3-methylbutanoic acid
InChI Key	AXFYFNCPONWUHW-UHFFFAOYSA-N
Molecular Formula	C5H10O3

4-Dimethylaminobutyric acid hydrochloride, 98%

CAS: 69954-66-1 Molecular Formula: C6H14ClNO2 Molecular Weight (g/mol): 167.633 MDL Number: MFCD00012613 InChI Key: RDTALXUBMCLWBB-UHFFFAOYSA-N Synonym: 4-dimethylamino butanoic acid hydrochloride,4-dimethylaminobutyric acid hydrochloride,4-dimethylamino butyric acid hydrochloride,butanoic acid, 4-dimethylamino-, hydrochloride,4-dimethylamino butanoic acid hcl,4-dimethylamino butyric acid hcl salt,4-dimethylamino-butyric acid hydrochloride,4-dimethylamino-butyric acid hydrochloride salt PubChem CID: 12691640 IUPAC Name: 4-(dimethylamino)butanoic acid;hydrochloride SMILES: CN(C)CCCC(=O)O.Cl

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PubChem CID	12691640
CAS	69954-66-1
Molecular Weight (g/mol)	167.633
MDL Number	MFCD00012613
SMILES	CN(C)CCCC(=O)O.Cl
Synonym	4-dimethylamino butanoic acid hydrochloride,4-dimethylaminobutyric acid hydrochloride,4-dimethylamino butyric acid hydrochloride,butanoic acid, 4-dimethylamino-, hydrochloride,4-dimethylamino butanoic acid hcl,4-dimethylamino butyric acid hcl salt,4-dimethylamino-butyric acid hydrochloride,4-dimethylamino-butyric acid hydrochloride salt
IUPAC Name	4-(dimethylamino)butanoic acid;hydrochloride
InChI Key	RDTALXUBMCLWBB-UHFFFAOYSA-N
Molecular Formula	C6H14ClNO2

tert-Butyl hydrogen succinate, 97%

CAS: 15026-17-2 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00273441 InChI Key: PCOCFIOYWNCGBM-UHFFFAOYSA-N Synonym: mono-tert-butyl succinate,4-tert-butoxy-4-oxobutanoic acid,succinic acid mono-tert-butyl ester,tert-butyl hydrogen succinate,mono-t-butyl succinate,pubchem11616,succinic acid 1-tert-butyl ester,succinic acid 4-tert-butyl ester PubChem CID: 4139107 IUPAC Name: 4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid SMILES: CC(C)(C)OC(=O)CCC(O)=O

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PubChem CID	4139107
CAS	15026-17-2
Molecular Weight (g/mol)	174.20
MDL Number	MFCD00273441
SMILES	CC(C)(C)OC(=O)CCC(O)=O
Synonym	mono-tert-butyl succinate,4-tert-butoxy-4-oxobutanoic acid,succinic acid mono-tert-butyl ester,tert-butyl hydrogen succinate,mono-t-butyl succinate,pubchem11616,succinic acid 1-tert-butyl ester,succinic acid 4-tert-butyl ester
IUPAC Name	4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
InChI Key	PCOCFIOYWNCGBM-UHFFFAOYSA-N
Molecular Formula	C8H14O4

Bromosuccinic acid, 96%

CAS: 923-06-8 Molecular Formula: C4H5BrO4 Molecular Weight (g/mol): 196.98 MDL Number: MFCD00004213 InChI Key: QQWGVQWAEANRTK-UHFFFAOYNA-N Synonym: bromosuccinic acid,2-bromosuccinic acid,monobromosuccinic acid,butanedioic acid, bromo,+--bromosuccinic acid,dl-bromosuccinic acid,rs-bromosuccinic acid,succinic acid, bromo,bromobutanedioic acid PubChem CID: 73557 ChEBI: CHEBI:73712 IUPAC Name: 2-bromobutanedioic acid SMILES: OC(=O)CC(Br)C(O)=O

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PubChem CID	73557
CAS	923-06-8
Molecular Weight (g/mol)	196.98
ChEBI	CHEBI:73712
MDL Number	MFCD00004213
SMILES	OC(=O)CC(Br)C(O)=O
Synonym	bromosuccinic acid,2-bromosuccinic acid,monobromosuccinic acid,butanedioic acid, bromo,+--bromosuccinic acid,dl-bromosuccinic acid,rs-bromosuccinic acid,succinic acid, bromo,bromobutanedioic acid
IUPAC Name	2-bromobutanedioic acid
InChI Key	QQWGVQWAEANRTK-UHFFFAOYNA-N
Molecular Formula	C4H5BrO4

10-Undecynoic acid, 96%

CAS: 2777-65-3 Molecular Formula: C11H18O2 Molecular Weight (g/mol): 182.263 MDL Number: MFCD00014389 InChI Key: OAOUTNMJEFWJPO-UHFFFAOYSA-N Synonym: 10-undecynoic acid,hendecynoic acid,unii-2f79g7h1wy,undec-10-ynoicacid,acmc-1cp9s,undec-1-yn-11-oic acid,4-02-00-01738 beilstein handbook reference PubChem CID: 31039 IUPAC Name: undec-10-ynoic acid SMILES: C#CCCCCCCCCC(=O)O

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PubChem CID	31039
CAS	2777-65-3
Molecular Weight (g/mol)	182.263
MDL Number	MFCD00014389
SMILES	C#CCCCCCCCCC(=O)O
Synonym	10-undecynoic acid,hendecynoic acid,unii-2f79g7h1wy,undec-10-ynoicacid,acmc-1cp9s,undec-1-yn-11-oic acid,4-02-00-01738 beilstein handbook reference
IUPAC Name	undec-10-ynoic acid
InChI Key	OAOUTNMJEFWJPO-UHFFFAOYSA-N
Molecular Formula	C11H18O2

100

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

101

Sodium 2-ethylhexanoate, 97%

CAS: 19766-89-3 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD00014007 InChI Key: VYPDUQYOLCLEGS-UHFFFAOYNA-M Synonym: sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate PubChem CID: 23672331 IUPAC Name: sodium;2-ethylhexanoate SMILES: [Na+].CCCCC(CC)C([O-])=O

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PubChem CID	23672331
CAS	19766-89-3
Molecular Weight (g/mol)	166.20
MDL Number	MFCD00014007
SMILES	[Na+].CCCCC(CC)C([O-])=O
Synonym	sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate
IUPAC Name	sodium;2-ethylhexanoate
InChI Key	VYPDUQYOLCLEGS-UHFFFAOYNA-M
Molecular Formula	C8H15NaO2

102

Stearic acid, 90+%

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

103

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

104

15-Hydroxypentadecanoic acid, 99+%

CAS: 4617-33-8 Molecular Formula: C15H30O3 Molecular Weight (g/mol): 258.402 MDL Number: MFCD00039535 InChI Key: BZUNJUAMQZRJIP-UHFFFAOYSA-N PubChem CID: 78360 ChEBI: CHEBI:79169 IUPAC Name: 15-hydroxypentadecanoic acid SMILES: C(CCCCCCCO)CCCCCCC(=O)O

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Specifications

PubChem CID	78360
CAS	4617-33-8
Molecular Weight (g/mol)	258.402
ChEBI	CHEBI:79169
MDL Number	MFCD00039535
SMILES	C(CCCCCCCO)CCCCCCC(=O)O
IUPAC Name	15-hydroxypentadecanoic acid
InChI Key	BZUNJUAMQZRJIP-UHFFFAOYSA-N
Molecular Formula	C15H30O3

105

(Methylthio)acetic acid, 98%

CAS: 2444-37-3 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.139 MDL Number: MFCD00075444 InChI Key: HGTBAIVLETUVCG-UHFFFAOYSA-N Synonym: methylthio acetic acid,2-methylthioacetic acid,2-methylthio acetic acid,acetic acid, methylthio,2-methylsulfanyl acetic acid,methylsulfenylacetic acid,unii-umv7e1ucux,methylmercaptoacetic acid,umv7e1ucux,acetic acid,2-methylthio PubChem CID: 75551 ChEBI: CHEBI:47870 IUPAC Name: 2-methylsulfanylacetic acid SMILES: CSCC(=O)O

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Specifications

PubChem CID	75551
CAS	2444-37-3
Molecular Weight (g/mol)	106.139
ChEBI	CHEBI:47870
MDL Number	MFCD00075444
SMILES	CSCC(=O)O
Synonym	methylthio acetic acid,2-methylthioacetic acid,2-methylthio acetic acid,acetic acid, methylthio,2-methylsulfanyl acetic acid,methylsulfenylacetic acid,unii-umv7e1ucux,methylmercaptoacetic acid,umv7e1ucux,acetic acid,2-methylthio
IUPAC Name	2-methylsulfanylacetic acid
InChI Key	HGTBAIVLETUVCG-UHFFFAOYSA-N
Molecular Formula	C3H6O2S

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