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 559 results

Sodium caprylate, 98%

CAS: 1984-06-1 Molecular Formula: C₈H₁₅NaO₂ Molecular Weight (g/mol): 166.2 MDL Number: MFCD00058511 InChI Key: BYKRNSHANADUFY-UHFFFAOYSA-M Synonym: sodium octanoate,sodium caprylate,octanoic acid, sodium salt,sodium n-octanoate,sodium octoate,natrium octanoat,caprylic acid sodium salt,octanoic acid sodium salt,octanoic acid, sodium salt 1:1,unii-9xtm81vk2b PubChem CID: 23664772

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PubChem CID	23664772
CAS	1984-06-1
Molecular Weight (g/mol)	166.2
MDL Number	MFCD00058511
Synonym	sodium octanoate,sodium caprylate,octanoic acid, sodium salt,sodium n-octanoate,sodium octoate,natrium octanoat,caprylic acid sodium salt,octanoic acid sodium salt,octanoic acid, sodium salt 1:1,unii-9xtm81vk2b
InChI Key	BYKRNSHANADUFY-UHFFFAOYSA-M
Molecular Formula	C₈H₁₅NaO₂

Oleic acid, tech. 90%

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

Selectophore™ Oleic acid, ≥99.0%, MilliporeSigma™ Supelco™

MDL Number: MFCD00064242 Synonym: cis-9-Octadecenoic acid; Elainic acid

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Specifications

MDL Number	MFCD00064242
Synonym	cis-9-Octadecenoic acid; Elainic acid

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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Specifications

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

3,3-Dimethylacrylic acid, 98%

CAS: 541-47-9 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.117 MDL Number: MFCD00004366 InChI Key: YYPNJNDODFVZLE-UHFFFAOYSA-N Synonym: 3,3-dimethylacrylic acid,senecioic acid,3-methylcrotonic acid,3-methyl-2-butenoic acid,2-butenoic acid, 3-methyl,senecic acid,beta,beta-dimethylacrylic acid,crotonic acid, 3-methyl,beta,beta-dimethacrylic acid,beta-methylcrotonic acid PubChem CID: 10931 ChEBI: CHEBI:37127 IUPAC Name: 3-methylbut-2-enoic acid SMILES: CC(=CC(=O)O)C

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Specifications

PubChem CID	10931
CAS	541-47-9
Molecular Weight (g/mol)	100.117
ChEBI	CHEBI:37127
MDL Number	MFCD00004366
SMILES	CC(=CC(=O)O)C
Synonym	3,3-dimethylacrylic acid,senecioic acid,3-methylcrotonic acid,3-methyl-2-butenoic acid,2-butenoic acid, 3-methyl,senecic acid,beta,beta-dimethylacrylic acid,crotonic acid, 3-methyl,beta,beta-dimethacrylic acid,beta-methylcrotonic acid
IUPAC Name	3-methylbut-2-enoic acid
InChI Key	YYPNJNDODFVZLE-UHFFFAOYSA-N
Molecular Formula	C5H8O2

2-Ethylbutyric acid, 98%

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

8-Aminooctanoic acid, 99%

CAS: 1002-57-9 Molecular Formula: C8H17NO2 Molecular Weight (g/mol): 159.23 MDL Number: MFCD00008245 InChI Key: UQXNEWQGGVUVQA-UHFFFAOYSA-N Synonym: 8-aminocaprylic acid,octanoic acid, 8-amino,omega-aminocaprylic acid,8-amino caprylic acid,8-amino-octanoic acid,.omega.-aminocaprylic acid,8-amino capylic acid,8ac,8-aminocapylic acid,pubchem13165 PubChem CID: 66085 IUPAC Name: 8-aminooctanoic acid SMILES: NCCCCCCCC(O)=O

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Specifications

PubChem CID	66085
CAS	1002-57-9
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00008245
SMILES	NCCCCCCCC(O)=O
Synonym	8-aminocaprylic acid,octanoic acid, 8-amino,omega-aminocaprylic acid,8-amino caprylic acid,8-amino-octanoic acid,.omega.-aminocaprylic acid,8-amino capylic acid,8ac,8-aminocapylic acid,pubchem13165
IUPAC Name	8-aminooctanoic acid
InChI Key	UQXNEWQGGVUVQA-UHFFFAOYSA-N
Molecular Formula	C8H17NO2

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

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

Calcium 2-ethylhexanoate, 98%

CAS: 136-51-6 Molecular Formula: C16H30CaO4 Molecular Weight (g/mol): 326.49 MDL Number: MFCD00014001 InChI Key: LTPCXXMGKDQPAO-UHFFFAOYSA-L Synonym: calcium 2-ethylhexanoate,calcium bis 2-ethylhexanoate,hexanoic acid, 2-ethyl-, calcium salt,hexanoic acid, 2-ethyl-, calcium salt 2:1,calcium 2-ethyl-hexanoate,octope ca,calcium hex-cem,nikka octhix calcium,calcium 2-ethylhexoate,dsstox_cid_7063 PubChem CID: 61082 IUPAC Name: calcium;2-ethylhexanoate SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]

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Specifications

PubChem CID	61082
CAS	136-51-6
Molecular Weight (g/mol)	326.49
MDL Number	MFCD00014001
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ca+2]
Synonym	calcium 2-ethylhexanoate,calcium bis 2-ethylhexanoate,hexanoic acid, 2-ethyl-, calcium salt,hexanoic acid, 2-ethyl-, calcium salt 2:1,calcium 2-ethyl-hexanoate,octope ca,calcium hex-cem,nikka octhix calcium,calcium 2-ethylhexoate,dsstox_cid_7063
IUPAC Name	calcium;2-ethylhexanoate
InChI Key	LTPCXXMGKDQPAO-UHFFFAOYSA-L
Molecular Formula	C16H30CaO4

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

Itaconic acid, 99%

CAS: 97-65-4 Molecular Formula: C5H6O4 Molecular Weight (g/mol): 130.099 MDL Number: MFCD00004260 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)	130.099
ChEBI	CHEBI:30838
MDL Number	MFCD00004260
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

6-Bromohexanoic acid, 98+%

CAS: 4224-70-8 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.056 MDL Number: MFCD00004422 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)	195.056
ChEBI	CHEBI:60700
MDL Number	MFCD00004422
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

trans-Crotonic acid, 98%

CAS: 107-93-7 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002701 InChI Key: LDHQCZJRKDOVOX-NSCUHMNNSA-N Synonym: crotonic acid,e-but-2-enoic acid,but-2-enoic acid,trans-2-butenoic acid,trans-crotonic acid,3-methylacrylic acid,e-2-butenoic acid,2-butenoic acid,2e-but-2-enoic acid,e-crotonic acid PubChem CID: 637090 ChEBI: CHEBI:41131 IUPAC Name: (E)-but-2-enoic acid SMILES: CC=CC(=O)O

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Specifications

PubChem CID	637090
CAS	107-93-7
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:41131
MDL Number	MFCD00002701
SMILES	CC=CC(=O)O
Synonym	crotonic acid,e-but-2-enoic acid,but-2-enoic acid,trans-2-butenoic acid,trans-crotonic acid,3-methylacrylic acid,e-2-butenoic acid,2-butenoic acid,2e-but-2-enoic acid,e-crotonic acid
IUPAC Name	(E)-but-2-enoic acid
InChI Key	LDHQCZJRKDOVOX-NSCUHMNNSA-N
Molecular Formula	C4H6O2

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-

Fatty acid conjugates

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