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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3,5,5-Trimethylhexanoic acid, 97%

CAS: 3302-10-1 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00020507 InChI Key: OILUAKBAMVLXGF-UHFFFAOYNA-N Synonym: hexanoic acid, 3,5,5-trimethyl,3,5,5-trimethyl-hexanoic acid,3,5,5-trimethylhexanoicacid,unii-aw943q219o,acmc-1assi,dsstox_cid_9254,3,5-trimethylhexanoic acid,dsstox_rid_78735,dsstox_gsid_29254,3,5,5 trimethylhexanoic acid PubChem CID: 90960 IUPAC Name: 3,5,5-trimethylhexanoic acid SMILES: CC(CC(=O)O)CC(C)(C)C

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Specifications

PubChem CID	90960
CAS	3302-10-1
Molecular Weight (g/mol)	158.24
MDL Number	MFCD00020507
SMILES	CC(CC(=O)O)CC(C)(C)C
Synonym	hexanoic acid, 3,5,5-trimethyl,3,5,5-trimethyl-hexanoic acid,3,5,5-trimethylhexanoicacid,unii-aw943q219o,acmc-1assi,dsstox_cid_9254,3,5-trimethylhexanoic acid,dsstox_rid_78735,dsstox_gsid_29254,3,5,5 trimethylhexanoic acid
IUPAC Name	3,5,5-trimethylhexanoic acid
InChI Key	OILUAKBAMVLXGF-UHFFFAOYNA-N
Molecular Formula	C9H18O2

10,12-Pentacosadiynoic acid, 98+%

CAS: 66990-32-7 Molecular Formula: C25H42O2 Molecular Weight (g/mol): 374.61 MDL Number: MFCD00041684 InChI Key: ZPUDRBWHCWYMQS-UHFFFAOYSA-N Synonym: 10,12-pentacosadiynoic acid,10,12-pentacosadiynoicacid,acmc-209nx9,10-12-pentacosadiynoic acid,10,12-pentacosadiynoic acid hplc PubChem CID: 538433 IUPAC Name: pentacosa-10,12-diynoic acid SMILES: CCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O

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Specifications

PubChem CID	538433
CAS	66990-32-7
Molecular Weight (g/mol)	374.61
MDL Number	MFCD00041684
SMILES	CCCCCCCCCCCCC#CC#CCCCCCCCCC(O)=O
Synonym	10,12-pentacosadiynoic acid,10,12-pentacosadiynoicacid,acmc-209nx9,10-12-pentacosadiynoic acid,10,12-pentacosadiynoic acid hplc
IUPAC Name	pentacosa-10,12-diynoic acid
InChI Key	ZPUDRBWHCWYMQS-UHFFFAOYSA-N
Molecular Formula	C25H42O2

2-Hydroxy-3-methylbutyric acid, 97%

CAS: 4026-18-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00004242 InChI Key: NGEWQZIDQIYUNV-UHFFFAOYSA-N Synonym: 2-hydroxy-3-methylbutyric acid,2-hydroxyisovaleric acid,alpha-hydroxyisovaleric acid,2-oxyisovaleric acid,3-methyl-2-hydroxybutyric acid,butanoic acid, 2-hydroxy-3-methyl,2-hydroxyisopentanoic acid,dl-2-hydroxyisovaleric acid,dl-2-hydroxy-3-methylbutanoic acid,2-hydroxyisopentanoate PubChem CID: 99823 ChEBI: CHEBI:60645 IUPAC Name: 2-hydroxy-3-methylbutanoic acid SMILES: CC(C)C(C(=O)O)O

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Specifications

PubChem CID	99823
CAS	4026-18-0
Molecular Weight (g/mol)	118.132
ChEBI	CHEBI:60645
MDL Number	MFCD00004242
SMILES	CC(C)C(C(=O)O)O
Synonym	2-hydroxy-3-methylbutyric acid,2-hydroxyisovaleric acid,alpha-hydroxyisovaleric acid,2-oxyisovaleric acid,3-methyl-2-hydroxybutyric acid,butanoic acid, 2-hydroxy-3-methyl,2-hydroxyisopentanoic acid,dl-2-hydroxyisovaleric acid,dl-2-hydroxy-3-methylbutanoic acid,2-hydroxyisopentanoate
IUPAC Name	2-hydroxy-3-methylbutanoic acid
InChI Key	NGEWQZIDQIYUNV-UHFFFAOYSA-N
Molecular Formula	C5H10O3

Fumaric acid, 99%

CAS: 110-17-8 Molecular Formula: C4H4O4 Molecular Weight (g/mol): 116.07 MDL Number: MFCD00002700 InChI Key: VZCYOOQTPOCHFL-OWOJBTEDSA-N Synonym: fumaric acid,2-butenedioic acid,trans-butenedioic acid,allomaleic acid,boletic acid,lichenic acid,tumaric acid,2e-but-2-enedioic acid,butenedioic acid,trans-2-butenedioic acid PubChem CID: 444972 ChEBI: CHEBI:18012 IUPAC Name: (E)-but-2-enedioic acid SMILES: OC(=O)\C=C\C(O)=O

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Specifications

PubChem CID	444972
CAS	110-17-8
Molecular Weight (g/mol)	116.07
ChEBI	CHEBI:18012
MDL Number	MFCD00002700
SMILES	OC(=O)\C=C\C(O)=O
Synonym	fumaric acid,2-butenedioic acid,trans-butenedioic acid,allomaleic acid,boletic acid,lichenic acid,tumaric acid,2e-but-2-enedioic acid,butenedioic acid,trans-2-butenedioic acid
IUPAC Name	(E)-but-2-enedioic acid
InChI Key	VZCYOOQTPOCHFL-OWOJBTEDSA-N
Molecular Formula	C4H4O4

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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Specifications

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

6-Aminocaproic acid, 99+%

CAS: 60-32-2 Molecular Formula: C₆H₁₃NO₂ Molecular Weight (g/mol): 131.17 InChI Key: SLXKOJJOQWFEFD-UHFFFAOYSA-N Synonym: 6-aminocaproic acid,aminocaproic acid,amicar,epsikapron,capramol,caprocid,epsamon,eaca,acepramin,caprolisin PubChem CID: 564 ChEBI: CHEBI:16586 IUPAC Name: 6-aminohexanoic acid SMILES: C(CCC(=O)O)CCN

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Specifications

PubChem CID	564
CAS	60-32-2
Molecular Weight (g/mol)	131.17
ChEBI	CHEBI:16586
SMILES	C(CCC(=O)O)CCN
Synonym	6-aminocaproic acid,aminocaproic acid,amicar,epsikapron,capramol,caprocid,epsamon,eaca,acepramin,caprolisin
IUPAC Name	6-aminohexanoic acid
InChI Key	SLXKOJJOQWFEFD-UHFFFAOYSA-N
Molecular Formula	C₆H₁₃NO₂

N-Benzyloxycarbonyl-6-aminohexanoic acid, 98%

CAS: 1947-00-8 Molecular Formula: C14H19NO4 Molecular Weight (g/mol): 265.309 MDL Number: MFCD00004423 InChI Key: RXQDBVWDABAAHL-UHFFFAOYSA-N Synonym: z-6-aminohexanoic acid,z-epsilon-acp-oh,6-benzyloxy carbonyl amino hexanoic acid,n-benzyloxycarbonyl-6-aminocaproic acid,cbz-,a-aminocaproic acid,n-cbz-6-aminohexanoic acid,n-benzyloxycarbonyl-6-aminohexanoic acid,n-carbobenzoxy-epsilon-aminocaproic acid,6-phenylmethoxy carbonyl amino hexanoic acid PubChem CID: 74758 IUPAC Name: 6-(phenylmethoxycarbonylamino)hexanoic acid SMILES: C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)O

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Specifications

PubChem CID	74758
CAS	1947-00-8
Molecular Weight (g/mol)	265.309
MDL Number	MFCD00004423
SMILES	C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)O
Synonym	z-6-aminohexanoic acid,z-epsilon-acp-oh,6-benzyloxy carbonyl amino hexanoic acid,n-benzyloxycarbonyl-6-aminocaproic acid,cbz-,a-aminocaproic acid,n-cbz-6-aminohexanoic acid,n-benzyloxycarbonyl-6-aminohexanoic acid,n-carbobenzoxy-epsilon-aminocaproic acid,6-phenylmethoxy carbonyl amino hexanoic acid
IUPAC Name	6-(phenylmethoxycarbonylamino)hexanoic acid
InChI Key	RXQDBVWDABAAHL-UHFFFAOYSA-N
Molecular Formula	C14H19NO4

Linoleic acid, 95%

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

Octanoic acid, 98+%

CAS: 124-07-2 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00004429 InChI Key: WWZKQHOCKIZLMA-UHFFFAOYSA-N Synonym: caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid PubChem CID: 379 ChEBI: CHEBI:28837 IUPAC Name: octanoic acid SMILES: CCCCCCCC(=O)O

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Specifications

PubChem CID	379
CAS	124-07-2
Molecular Weight (g/mol)	144.214
ChEBI	CHEBI:28837
MDL Number	MFCD00004429
SMILES	CCCCCCCC(=O)O
Synonym	caprylic acid,n-octanoic acid,octylic acid,n-caprylic acid,octoic acid,n-octylic acid,n-octoic acid,neo-fat 8,1-heptanecarboxylic acid,enantic acid
IUPAC Name	octanoic acid
InChI Key	WWZKQHOCKIZLMA-UHFFFAOYSA-N
Molecular Formula	C8H16O2

2,2-Difluorobutyric acid, 97%

CAS: 2366-62-3 Molecular Formula: C4H6F2O2 Molecular Weight (g/mol): 124.087 MDL Number: MFCD03093765 InChI Key: SBSKRVZFWQPJID-UHFFFAOYSA-N Synonym: 2,2-difluorobutyric acid,2,2-difluorobutyricacid,pubchem15470,difluoramino butyric acid,2,2-bis fluoranyl butanoic acid PubChem CID: 3711426 IUPAC Name: 2,2-difluorobutanoic acid SMILES: CCC(C(=O)O)(F)F

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Specifications

PubChem CID	3711426
CAS	2366-62-3
Molecular Weight (g/mol)	124.087
MDL Number	MFCD03093765
SMILES	CCC(C(=O)O)(F)F
Synonym	2,2-difluorobutyric acid,2,2-difluorobutyricacid,pubchem15470,difluoramino butyric acid,2,2-bis fluoranyl butanoic acid
IUPAC Name	2,2-difluorobutanoic acid
InChI Key	SBSKRVZFWQPJID-UHFFFAOYSA-N
Molecular Formula	C4H6F2O2

Vinylacetic acid, 96%

CAS: 625-38-7 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002782 InChI Key: PVEOYINWKBTPIZ-UHFFFAOYSA-N Synonym: 3-butenoic acid,vinylacetic acid,vinyl acetic acid,acetic acid, ethenyl,beta-butenoic acid,.beta.-butenoic acid,2-propenylcarboxylic acid,allylic acid,vinylessigsaeure,3-butenoicacid PubChem CID: 32743 ChEBI: CHEBI:35897 IUPAC Name: but-3-enoic acid SMILES: OC(=O)CC=C

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Specifications

PubChem CID	32743
CAS	625-38-7
Molecular Weight (g/mol)	86.09
ChEBI	CHEBI:35897
MDL Number	MFCD00002782
SMILES	OC(=O)CC=C
Synonym	3-butenoic acid,vinylacetic acid,vinyl acetic acid,acetic acid, ethenyl,beta-butenoic acid,.beta.-butenoic acid,2-propenylcarboxylic acid,allylic acid,vinylessigsaeure,3-butenoicacid
IUPAC Name	but-3-enoic acid
InChI Key	PVEOYINWKBTPIZ-UHFFFAOYSA-N
Molecular Formula	C4H6O2

Tetradecanoic acid, 98%

CAS: 544-63-8 Molecular Formula: C14H28O2 Molecular Weight (g/mol): 228.38 MDL Number: MFCD00002744 InChI Key: TUNFSRHWOTWDNC-UHFFFAOYSA-N Synonym: myristic acid,n-tetradecanoic acid,n-tetradecoic acid,crodacid,n-tetradecan-1-oic acid,1-tridecanecarboxylic acid,hydrofol acid 1495,univol u 316s,emery 655,myristinsaeure PubChem CID: 11005 ChEBI: CHEBI:28875 IUPAC Name: tetradecanoic acid SMILES: CCCCCCCCCCCCCC(O)=O

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Specifications

PubChem CID	11005
CAS	544-63-8
Molecular Weight (g/mol)	228.38
ChEBI	CHEBI:28875
MDL Number	MFCD00002744
SMILES	CCCCCCCCCCCCCC(O)=O
Synonym	myristic acid,n-tetradecanoic acid,n-tetradecoic acid,crodacid,n-tetradecan-1-oic acid,1-tridecanecarboxylic acid,hydrofol acid 1495,univol u 316s,emery 655,myristinsaeure
IUPAC Name	tetradecanoic acid
InChI Key	TUNFSRHWOTWDNC-UHFFFAOYSA-N
Molecular Formula	C14H28O2

Acetylenedicarboxylic acid, 98%

CAS: 142-45-0 Molecular Formula: C4H2O4 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00004362 InChI Key: YTIVTFGABIZHHX-UHFFFAOYSA-N Synonym: acetylenedicarboxylic acid,2-butynedioic acid,butynedioic acid,acetylenedicarboxylate,unii-2d2oj4ko44,acetylenedicarboxylic acid 8ci,acetylendicarboxylate,hoocc=ccooh,acetylenedicarboxylicacid,pubchem13735 PubChem CID: 371 ChEBI: CHEBI:30781 IUPAC Name: but-2-ynedioic acid SMILES: OC(=O)C#CC(O)=O

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Specifications

PubChem CID	371
CAS	142-45-0
Molecular Weight (g/mol)	114.06
ChEBI	CHEBI:30781
MDL Number	MFCD00004362
SMILES	OC(=O)C#CC(O)=O
Synonym	acetylenedicarboxylic acid,2-butynedioic acid,butynedioic acid,acetylenedicarboxylate,unii-2d2oj4ko44,acetylenedicarboxylic acid 8ci,acetylendicarboxylate,hoocc=ccooh,acetylenedicarboxylicacid,pubchem13735
IUPAC Name	but-2-ynedioic acid
InChI Key	YTIVTFGABIZHHX-UHFFFAOYSA-N
Molecular Formula	C4H2O4

Oleic acid, 97%

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 IUPAC Name: (Z)-octadec-9-enoic acid SMILES: CCCCCCCC\C=C\CCCCCCCC(O)=O

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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

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

Pricing and Availability
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

Fatty acid conjugates

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