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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MilliporeSigma™ InSolution™ Sinefungin, Calbiochem™,

CAS: 58944-73-3 Molecular Formula: C15H23N7O5 Molecular Weight (g/mol): 381.393 InChI Key: LMXOHSDXUQEUSF-LWCRYBRRSA-N Synonym: insolution sinefungin,2,5-diamino-6-2r,3s,4r,5r-5-6-aminopurin-9-yl-3,4-dihydroxyoxolan-2-yl hexanoic acid,antibiotic 32232rp,compound-57926 PubChem CID: 6917665 IUPAC Name: 2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O

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PubChem CID	6917665
CAS	58944-73-3
Molecular Weight (g/mol)	381.393
SMILES	C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O
Synonym	insolution sinefungin,2,5-diamino-6-2r,3s,4r,5r-5-6-aminopurin-9-yl-3,4-dihydroxyoxolan-2-yl hexanoic acid,antibiotic 32232rp,compound-57926
IUPAC Name	2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
InChI Key	LMXOHSDXUQEUSF-LWCRYBRRSA-N
Molecular Formula	C15H23N7O5

Heneicosanoic acid, 99%

CAS: 2363-71-5 Molecular Formula: C₂₁H₄₂O₂ Molecular Weight (g/mol): 326.55 MDL Number: MFCD00002805 InChI Key: CKDDRHZIAZRDBW-UHFFFAOYSA-N Synonym: heneicosanoic acid,n-heneicosanoic acid,heneicosylic acid,henicosanoate,heneicosanate,heneicosanoate,n-heneicosanoate,heneicosanoicacid,heneicosanic acid,n-heneicosylic acid PubChem CID: 16898 ChEBI: CHEBI:39248 IUPAC Name: henicosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCC(=O)O

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PubChem CID	16898
CAS	2363-71-5
Molecular Weight (g/mol)	326.55
ChEBI	CHEBI:39248
MDL Number	MFCD00002805
SMILES	CCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	heneicosanoic acid,n-heneicosanoic acid,heneicosylic acid,henicosanoate,heneicosanate,heneicosanoate,n-heneicosanoate,heneicosanoicacid,heneicosanic acid,n-heneicosylic acid
IUPAC Name	henicosanoic acid
InChI Key	CKDDRHZIAZRDBW-UHFFFAOYSA-N
Molecular Formula	C₂₁H₄₂O₂

Nonadecanoic acid, 98+%

CAS: 646-30-0 Molecular Formula: C₁₉H₃₈O₂ Molecular Weight (g/mol): 298.51 MDL Number: MFCD00002754 InChI Key: ISYWECDDZWTKFF-UHFFFAOYSA-N Synonym: n-nonadecanoic acid,nonadecylic acid,unii-h6m3vyc62p,h6m3vyc62p,fatty acids, c16-22,n-nonadecanoate,n-nonadecylate,nonadecyclic acid,c16-c22 alkylcarboxylic acid PubChem CID: 12591 ChEBI: CHEBI:39246 IUPAC Name: nonadecanoic acid SMILES: CCCCCCCCCCCCCCCCCCC(=O)O

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PubChem CID	12591
CAS	646-30-0
Molecular Weight (g/mol)	298.51
ChEBI	CHEBI:39246
MDL Number	MFCD00002754
SMILES	CCCCCCCCCCCCCCCCCCC(=O)O
Synonym	n-nonadecanoic acid,nonadecylic acid,unii-h6m3vyc62p,h6m3vyc62p,fatty acids, c16-22,n-nonadecanoate,n-nonadecylate,nonadecyclic acid,c16-c22 alkylcarboxylic acid
IUPAC Name	nonadecanoic acid
InChI Key	ISYWECDDZWTKFF-UHFFFAOYSA-N
Molecular Formula	C₁₉H₃₈O₂

Thermo Scientific Chemicals all-trans-Retinoic acid, 97%

CAS: 302-79-4 Molecular Formula: C20H28O2 Molecular Weight (g/mol): 300.44 MDL Number: MFCD00001551 InChI Key: SHGAZHPCJJPHSC-YCNIQYBTSA-N Synonym: retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra PubChem CID: 444795 ChEBI: CHEBI:15367 IUPAC Name: (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid SMILES: C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O

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PubChem CID	444795
CAS	302-79-4
Molecular Weight (g/mol)	300.44
ChEBI	CHEBI:15367
MDL Number	MFCD00001551
SMILES	C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Synonym	retinoic acid,tretinoin,vitamin a acid,all-trans-retinoic acid,trans-retinoic acid,renova,airol,retin-a,vesanoid,atra
IUPAC Name	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
InChI Key	SHGAZHPCJJPHSC-YCNIQYBTSA-N
Molecular Formula	C20H28O2

L-alpha-Hydroxyisocaproic acid, 98%

CAS: 13748-90-8 Molecular Formula: C₆H₁₂O₃ Molecular Weight (g/mol): 132.16 InChI Key: LVRFTAZAXQPQHI-YFKPBYRVSA-N Synonym: l-leucic acid,s-2-hydroxy-4-methylpentanoic acid,2s-2-hydroxy-4-methylpentanoic acid,l-2-hydroxy-4-methylvaleric acid,s-leucic acid,s-2-hydroxy-4-methylvaleric acid,l-2-hydroxyisocaproic acid,l-alpha-hydroxyisocaproic acid,s---2-hydroxyisocaproic acid,pentanoic acid, 2-hydroxy-4-methyl-, 2s PubChem CID: 83697 ChEBI: CHEBI:44510 IUPAC Name: (2S)-2-hydroxy-4-methylpentanoic acid SMILES: CC(C)CC(C(=O)O)O

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PubChem CID	83697
CAS	13748-90-8
Molecular Weight (g/mol)	132.16
ChEBI	CHEBI:44510
SMILES	CC(C)CC(C(=O)O)O
Synonym	l-leucic acid,s-2-hydroxy-4-methylpentanoic acid,2s-2-hydroxy-4-methylpentanoic acid,l-2-hydroxy-4-methylvaleric acid,s-leucic acid,s-2-hydroxy-4-methylvaleric acid,l-2-hydroxyisocaproic acid,l-alpha-hydroxyisocaproic acid,s---2-hydroxyisocaproic acid,pentanoic acid, 2-hydroxy-4-methyl-, 2s
IUPAC Name	(2S)-2-hydroxy-4-methylpentanoic acid
InChI Key	LVRFTAZAXQPQHI-YFKPBYRVSA-N
Molecular Formula	C₆H₁₂O₃

Sodium fumarate, 98%

CAS: 17013-01-3 Molecular Formula: C₄H₂Na₂O₄ Molecular Weight (g/mol): 160.04 MDL Number: MFCD00064567 InChI Key: VXXVUHAXJHEYFH-SEPHDYHBSA-N Synonym: disodium fumarate,sodium fumarate,sodium fumarate dibasic,fumaric acid, disodium salt,fumaric acid disodium salt,fumaran sodny czech,fumaran sodny,disodium butenedioate,di-sodium fumarate,sodium monofumarate PubChem CID: 87110070 IUPAC Name: (E)-but-2-enedioic acid;sodium SMILES: C(=CC(=O)O)C(=O)O.[Na].[Na]

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PubChem CID	87110070
CAS	17013-01-3
Molecular Weight (g/mol)	160.04
MDL Number	MFCD00064567
SMILES	C(=CC(=O)O)C(=O)O.[Na].[Na]
Synonym	disodium fumarate,sodium fumarate,sodium fumarate dibasic,fumaric acid, disodium salt,fumaric acid disodium salt,fumaran sodny czech,fumaran sodny,disodium butenedioate,di-sodium fumarate,sodium monofumarate
IUPAC Name	(E)-but-2-enedioic acid;sodium
InChI Key	VXXVUHAXJHEYFH-SEPHDYHBSA-N
Molecular Formula	C₄H₂Na₂O₄

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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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

4-Pentynoic acid, 95%

CAS: 6089-09-4 Molecular Formula: C₅H₆O₂ Molecular Weight (g/mol): 98.1 MDL Number: MFCD00004407 InChI Key: MLBYLEUJXUBIJJ-UHFFFAOYSA-M Synonym: 4-pentynoic acid,propargylacetic acid,pent-4-yn-1-oic acid,4-pentynoicacid,pent4-ynoic acid,zlchem 796,pubchem3491,pent-4-yn-oic acid,acmc-1az7d PubChem CID: 22464 IUPAC Name: pent-4-ynoic acid SMILES: C#CCCC(=O)O

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PubChem CID	22464
CAS	6089-09-4
Molecular Weight (g/mol)	98.1
MDL Number	MFCD00004407
SMILES	C#CCCC(=O)O
Synonym	4-pentynoic acid,propargylacetic acid,pent-4-yn-1-oic acid,4-pentynoicacid,pent4-ynoic acid,zlchem 796,pubchem3491,pent-4-yn-oic acid,acmc-1az7d
IUPAC Name	pent-4-ynoic acid
InChI Key	MLBYLEUJXUBIJJ-UHFFFAOYSA-M
Molecular Formula	C₅H₆O₂

Thermo Scientific Chemicals Linoleic acid, 99%

CAS: 60-33-3 Molecular Formula: C₁₈H₃₂O₂ Molecular Weight (g/mol): 280.45 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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PubChem CID	5280450
CAS	60-33-3
Molecular Weight (g/mol)	280.45
ChEBI	CHEBI:17351
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

Tetracosanoic acid, 99%

CAS: 557-59-5 Molecular Formula: C₂₄H₄₈O₂ Molecular Weight (g/mol): 368.63 MDL Number: MFCD00002810 InChI Key: QZZGJDVWLFXDLK-UHFFFAOYSA-N Synonym: lignoceric acid,unii-rk3vcw5y1l,n-tetracosanoic acid,rk3vcw5y1l,n-tetracosanoate,lignozerinsaeure,tetracosansaeure,carnaubic acid,tetracosoic acid,tetracosanic acid PubChem CID: 11197 ChEBI: CHEBI:28866 IUPAC Name: tetracosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)O

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PubChem CID	11197
CAS	557-59-5
Molecular Weight (g/mol)	368.63
ChEBI	CHEBI:28866
MDL Number	MFCD00002810
SMILES	CCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	lignoceric acid,unii-rk3vcw5y1l,n-tetracosanoic acid,rk3vcw5y1l,n-tetracosanoate,lignozerinsaeure,tetracosansaeure,carnaubic acid,tetracosoic acid,tetracosanic acid
IUPAC Name	tetracosanoic acid
InChI Key	QZZGJDVWLFXDLK-UHFFFAOYSA-N
Molecular Formula	C₂₄H₄₈O₂

Stearic Acid, Powder (Triple Pressed), N.F., J.T. Baker™

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

5-Hexynoic acid, 96%

CAS: 53293-00-8 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00066346 InChI Key: VPFMEXRVUOPYRG-UHFFFAOYSA-N Synonym: 5-hexynoic acid,5-hexyn-1-oic acid,4-ethynylbutyric acid,acmc-1an4h PubChem CID: 143036 ChEBI: CHEBI:73511 IUPAC Name: hex-5-ynoic acid SMILES: C#CCCCC(=O)O

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Specifications

PubChem CID	143036
CAS	53293-00-8
Molecular Weight (g/mol)	112.128
ChEBI	CHEBI:73511
MDL Number	MFCD00066346
SMILES	C#CCCCC(=O)O
Synonym	5-hexynoic acid,5-hexyn-1-oic acid,4-ethynylbutyric acid,acmc-1an4h
IUPAC Name	hex-5-ynoic acid
InChI Key	VPFMEXRVUOPYRG-UHFFFAOYSA-N
Molecular Formula	C6H8O2

Mucochloric acid, 99% (dry wt.), water <4.0%, Thermo Scientific Chemicals

CAS: 87-56-9 Molecular Formula: C4H2Cl2O3 Molecular Weight (g/mol): 168.96 MDL Number: MFCD00006966,MFCD00006966 InChI Key: LUMLZKVIXLWTCI-IHWYPQMZSA-N Synonym: mucochloric acid,2,3-dichloromaleic aldehyde acid,kyselina mukochlorova,2z-2,3-dichloro-4-oxobut-2-enoic acid,2-butenoic acid, 2,3-dichloro-4-oxo-, 2z,aldehydodichloromaleic acid,dichloromalealdehydic acid,unii-5i5877jhiw,kyselina mukochlorova czech,ccris 6597 PubChem CID: 2771871 SMILES: OC(=O)C(\Cl)=C(\Cl)C=O

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PubChem CID	2771871
CAS	87-56-9
Molecular Weight (g/mol)	168.96
MDL Number	MFCD00006966,MFCD00006966
SMILES	OC(=O)C(\Cl)=C(\Cl)C=O
Synonym	mucochloric acid,2,3-dichloromaleic aldehyde acid,kyselina mukochlorova,2z-2,3-dichloro-4-oxobut-2-enoic acid,2-butenoic acid, 2,3-dichloro-4-oxo-, 2z,aldehydodichloromaleic acid,dichloromalealdehydic acid,unii-5i5877jhiw,kyselina mukochlorova czech,ccris 6597
InChI Key	LUMLZKVIXLWTCI-IHWYPQMZSA-N
Molecular Formula	C4H2Cl2O3

4-Bromobutyric acid, 97%

CAS: 2623-87-2 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167.00 MDL Number: MFCD00002817 InChI Key: GRHQDJDRGZFIPO-UHFFFAOYSA-N Synonym: 4-bromobutyric acid,butanoic acid, 4-bromo,4-bromo-n-butyric acid,butyric acid, 4-bromo,gamma-bromobutyric acid,rarechem al bo 0176,4-bromobutyricacid,carboxypropyl bromide,4-bromo-butyric acid,pubchem3754 PubChem CID: 75809 IUPAC Name: 4-bromobutanoic acid SMILES: OC(=O)CCCBr

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PubChem CID	75809
CAS	2623-87-2
Molecular Weight (g/mol)	167.00
MDL Number	MFCD00002817
SMILES	OC(=O)CCCBr
Synonym	4-bromobutyric acid,butanoic acid, 4-bromo,4-bromo-n-butyric acid,butyric acid, 4-bromo,gamma-bromobutyric acid,rarechem al bo 0176,4-bromobutyricacid,carboxypropyl bromide,4-bromo-butyric acid,pubchem3754
IUPAC Name	4-bromobutanoic acid
InChI Key	GRHQDJDRGZFIPO-UHFFFAOYSA-N
Molecular Formula	C4H7BrO2

Sodium hydrogen fumarate, 98%

CAS: 5873-57-4 Molecular Formula: C4H2NaO4 Molecular Weight (g/mol): 137.05 MDL Number: MFCD00039097 InChI Key: VRVKOZSIJXBAJG-TYYBGVCCSA-L Synonym: sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu PubChem CID: 6076814 IUPAC Name: sodium;(E)-4-hydroxy-4-oxobut-2-enoate SMILES: [Na+].[O-]C(=O)\C=C\C([O-])=O

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Specifications

PubChem CID	6076814
CAS	5873-57-4
Molecular Weight (g/mol)	137.05
MDL Number	MFCD00039097
SMILES	[Na+].[O-]C(=O)\C=C\C([O-])=O
Synonym	sodium hydrogen fumarate,monosodium fumarate,sodium fumarate,maleic acid, sodium salt,maleinian sodu polish,fumaric acid monosodium salt,ccris 7315,2-butenedioic acid 2z-, sodium salt,sodium e-3-carboxyacrylate,maleinian sodu
IUPAC Name	sodium;(E)-4-hydroxy-4-oxobut-2-enoate
InChI Key	VRVKOZSIJXBAJG-TYYBGVCCSA-L
Molecular Formula	C4H2NaO4

Fatty acid conjugates

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