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

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

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

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

TraceCERT™ Fumaric Acid Solution, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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7-Bromopyrrolo[2,1-f][1,2,4]triazin-4-amine, Thermo Scientific™

CAS: 937046-98-5 Molecular Formula: C6H5BrN4 Molecular Weight (g/mol): 213.04 MDL Number: MFCD09033848 InChI Key: YGCJBESZJIGDMP-UHFFFAOYSA-N IUPAC Name: 7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine SMILES: NC1=NC=NN2C(Br)=CC=C12

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CAS	937046-98-5
Molecular Weight (g/mol)	213.04
MDL Number	MFCD09033848
SMILES	NC1=NC=NN2C(Br)=CC=C12
IUPAC Name	7-bromopyrrolo[2,1-f][1,2,4]triazin-4-amine
InChI Key	YGCJBESZJIGDMP-UHFFFAOYSA-N
Molecular Formula	C6H5BrN4

5-Bromovaleric acid, 97%

CAS: 2067-33-6 Molecular Formula: C₅H₉BrO₂ Molecular Weight (g/mol): 181.03 MDL Number: MFCD00004414 InChI Key: WNXNUPJZWYOKMW-UHFFFAOYSA-N Synonym: 5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid PubChem CID: 16368 IUPAC Name: 5-bromopentanoic acid SMILES: C(CCBr)CC(=O)O

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PubChem CID	16368
CAS	2067-33-6
Molecular Weight (g/mol)	181.03
MDL Number	MFCD00004414
SMILES	C(CCBr)CC(=O)O
Synonym	5-bromovaleric acid,pentanoic acid, 5-bromo,5-bromo-n-valeric acid,valeric acid, 5-bromo,5-bromovalenc acid,1-bromo-4-carboxybutane,.delta.-bromovaleric acid,delta-bromovaleric acid,5-bromo valeric acid,5-bromoval eric acid
IUPAC Name	5-bromopentanoic acid
InChI Key	WNXNUPJZWYOKMW-UHFFFAOYSA-N
Molecular Formula	C₅H₉BrO₂

Stearic acid, 97%

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

Undecanoic acid, 99%

CAS: 112-37-8 Molecular Formula: C₁₁H₂₂O₂ Molecular Weight (g/mol): 186.29 MDL Number: MFCD00002730 InChI Key: ZDPHROOEEOARMN-UHFFFAOYSA-N Synonym: hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg PubChem CID: 8180 ChEBI: CHEBI:32368 IUPAC Name: undecanoic acid SMILES: CCCCCCCCCCC(=O)O

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PubChem CID	8180
CAS	112-37-8
Molecular Weight (g/mol)	186.29
ChEBI	CHEBI:32368
MDL Number	MFCD00002730
SMILES	CCCCCCCCCCC(=O)O
Synonym	hendecanoic acid,undecylic acid,n-undecanoic acid,n-undecoic acid,n-undecylic acid,undecoic acid,undecanoate,1-decanecarboxylic acid,undekansaeure,unii-138on3iiqg
IUPAC Name	undecanoic acid
InChI Key	ZDPHROOEEOARMN-UHFFFAOYSA-N
Molecular Formula	C₁₁H₂₂O₂

Sebacic Acid, 98%

CAS: 111-20-6 Molecular Formula: C₁₀H₁₈O₄ Molecular Weight (g/mol): 202.25 MDL Number: MFCD00004440 InChI Key: CXMXRPHRNRROMY-UHFFFAOYSA-N Synonym: sebacic acid,1,8-octanedicarboxylic acid,1,10-decanedioic acid,sebacic acids,decanedicarboxylic acid,n-decanedioic acid,sebacinsaure,acide sebacique,sebacate,sebacinsaeure PubChem CID: 5192 ChEBI: CHEBI:41865 IUPAC Name: decanedioic acid SMILES: C(CCCCC(=O)O)CCCC(=O)O

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PubChem CID	5192
CAS	111-20-6
Molecular Weight (g/mol)	202.25
ChEBI	CHEBI:41865
MDL Number	MFCD00004440
SMILES	C(CCCCC(=O)O)CCCC(=O)O
Synonym	sebacic acid,1,8-octanedicarboxylic acid,1,10-decanedioic acid,sebacic acids,decanedicarboxylic acid,n-decanedioic acid,sebacinsaure,acide sebacique,sebacate,sebacinsaeure
IUPAC Name	decanedioic acid
InChI Key	CXMXRPHRNRROMY-UHFFFAOYSA-N
Molecular Formula	C₁₀H₁₈O₄

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

trans-2,3-Dimethylacrylic Acid, 98%

CAS: 80-59-1 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00066864 InChI Key: UIERETOOQGIECD-ONEGZZNKSA-N Synonym: tiglic acid,tiglinic acid,cevadic acid,2-methyl-2-butenoic acid,trans-2-methylcrotonic acid,trans-2,3-dimethylacrylic acid,2-methylbut-2-enoic acid,e-2-methyl-2-butenoic acid,trans-2-methyl-2-butenoic acid,e-2,3-dimethylacrylic acid PubChem CID: 125468 ChEBI: CHEBI:9592 IUPAC Name: (E)-2-methylbut-2-enoic acid SMILES: C\C=C(/C)C(O)=O

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PubChem CID	125468
CAS	80-59-1
Molecular Weight (g/mol)	100.12
ChEBI	CHEBI:9592
MDL Number	MFCD00066864
SMILES	C\C=C(/C)C(O)=O
Synonym	tiglic acid,tiglinic acid,cevadic acid,2-methyl-2-butenoic acid,trans-2-methylcrotonic acid,trans-2,3-dimethylacrylic acid,2-methylbut-2-enoic acid,e-2-methyl-2-butenoic acid,trans-2-methyl-2-butenoic acid,e-2,3-dimethylacrylic acid
IUPAC Name	(E)-2-methylbut-2-enoic acid
InChI Key	UIERETOOQGIECD-ONEGZZNKSA-N
Molecular Formula	C5H8O2

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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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

Thermo Scientific Chemicals Linolenic acid, 99%

CAS: 463-40-1 Molecular Formula: C₁₈H₃₀O₂ Molecular Weight (g/mol): 278.44 MDL Number: MFCD00065720 InChI Key: DTOSIQBPPRVQHS-PDBXOOCHSA-N Synonym: linolenic acid,alpha-linolenic acid,linolenate,9z,12z,15z-octadeca-9,12,15-trienoic acid,a-linolenic acid,cis,cis,cis-9,12,15-octadecatrienoic acid,all-cis-9,12,15-octadecatrienoic acid,alpha-linolenate,9-cis,12-cis,15-cis-octadecatrienoic acid,z,z,z-9,12,15-octadecatrienoic acid PubChem CID: 5280934 ChEBI: CHEBI:27432 IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)O

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PubChem CID	5280934
CAS	463-40-1
Molecular Weight (g/mol)	278.44
ChEBI	CHEBI:27432
MDL Number	MFCD00065720
SMILES	CCC=CCC=CCC=CCCCCCCCC(=O)O
Synonym	linolenic acid,alpha-linolenic acid,linolenate,9z,12z,15z-octadeca-9,12,15-trienoic acid,a-linolenic acid,cis,cis,cis-9,12,15-octadecatrienoic acid,all-cis-9,12,15-octadecatrienoic acid,alpha-linolenate,9-cis,12-cis,15-cis-octadecatrienoic acid,z,z,z-9,12,15-octadecatrienoic acid
IUPAC Name	(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
InChI Key	DTOSIQBPPRVQHS-PDBXOOCHSA-N
Molecular Formula	C₁₈H₃₀O₂

2,4-Hexadienoic acid, 99%

CAS: 110-44-1 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.13 MDL Number: MFCD00002703 InChI Key: WSWCOQWTEOXDQX-MQQKCMAXSA-N Synonym: sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid PubChem CID: 643460 ChEBI: CHEBI:38358 IUPAC Name: (2E,4E)-hexa-2,4-dienoic acid SMILES: C\C=C\C=C\C(O)=O

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PubChem CID	643460
CAS	110-44-1
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:38358
MDL Number	MFCD00002703
SMILES	C\C=C\C=C\C(O)=O
Synonym	sorbic acid,2,4-hexadienoic acid,2e,4e-hexa-2,4-dienoic acid,2e,4e-hexadienoic acid,panosorb,2-propenylacrylic acid,trans,trans-sorbic acid,sorbistat,hexadienoic acid,e,e-2,4-hexadienoic acid
IUPAC Name	(2E,4E)-hexa-2,4-dienoic acid
InChI Key	WSWCOQWTEOXDQX-MQQKCMAXSA-N
Molecular Formula	C6H8O2

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

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

Fatty acid conjugates

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