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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5-(4-Fluorophenyl)valeric acid, 97%

CAS: 24484-22-8 Molecular Formula: C11H12FO2 Molecular Weight (g/mol): 195.21 MDL Number: MFCD00800242 InChI Key: BXEFPLJKYWEEAN-UHFFFAOYSA-M PubChem CID: 2734670 IUPAC Name: 5-(4-fluorophenyl)pentanoic acid SMILES: [O-]C(=O)CCCCC1=CC=C(F)C=C1

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Specifications

PubChem CID	2734670
CAS	24484-22-8
Molecular Weight (g/mol)	195.21
MDL Number	MFCD00800242
SMILES	[O-]C(=O)CCCCC1=CC=C(F)C=C1
IUPAC Name	5-(4-fluorophenyl)pentanoic acid
InChI Key	BXEFPLJKYWEEAN-UHFFFAOYSA-M
Molecular Formula	C11H12FO2

Zirconium(IV) oxide 2-ethylhexanoate, in mineral spirits (≈6% Zr), Thermo Scientific Chemicals

CAS: 22464-99-9 Molecular Formula: C8H16O2Zr Molecular Weight (g/mol): 235.438 MDL Number: MFCD00072684 InChI Key: HBHXRPHNNKAWQL-UHFFFAOYSA-N Synonym: zirconium 2-ethylhexanoate PubChem CID: 73555628 IUPAC Name: 2-ethylhexanoic acid;zirconium SMILES: CCCCC(CC)C(=O)O.[Zr]

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Specifications

PubChem CID	73555628
CAS	22464-99-9
Molecular Weight (g/mol)	235.438
MDL Number	MFCD00072684
SMILES	CCCCC(CC)C(=O)O.[Zr]
Synonym	zirconium 2-ethylhexanoate
IUPAC Name	2-ethylhexanoic acid;zirconium
InChI Key	HBHXRPHNNKAWQL-UHFFFAOYSA-N
Molecular Formula	C8H16O2Zr

2-Ethylhexanoic acid, 99%

CAS: 149-57-5 MDL Number: MFCD00002675 InChI Key: OBETXYAYXDNJHR-UHFFFAOYSA-N Synonym: 2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid PubChem CID: 8697 IUPAC Name: 2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O

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Specifications

PubChem CID	8697
CAS	149-57-5
MDL Number	MFCD00002675
SMILES	CCCCC(CC)C(=O)O
Synonym	2-ethylcaproic acid,hexanoic acid, 2-ethyl,ethylhexanoic acid,ethylhexoic acid,2-ethylhexoic acid,butylethylacetic acid,2-butylbutanoic acid,3-heptanecarboxylic acid,ethyl hexanoic acid,2-ethyl-hexoic acid
IUPAC Name	2-ethylhexanoic acid
InChI Key	OBETXYAYXDNJHR-UHFFFAOYSA-N

(±)13-Azaprostanoic acid, 98%, Thermo Scientific Chemicals

CAS: 71629-07-7 Molecular Formula: C19H37NO2 Molecular Weight (g/mol): 311.51 MDL Number: MFCD00077317 InChI Key: RZZNGDIYQSCFGK-ROUUACIJSA-N Synonym: 13-azaprostanoic acid,7-1s,2s-2-heptylamino cyclopentyl heptanoic acid,13-azaprostan-1-oic acid,chembl9811,bml1-g10,+/-13-azaprostanoic acid,cyclopentaneheptanoicacid, 2-heptylamino-, 1s,2s,cyclopentaneheptanoic acid, 2-heptylamino-, 1s-trans PubChem CID: 123640 IUPAC Name: 7-[(1S,2S)-2-(heptylamino)cyclopentyl]heptanoic acid SMILES: CCCCCCCNC1CCCC1CCCCCCC(=O)O

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Specifications

PubChem CID	123640
CAS	71629-07-7
Molecular Weight (g/mol)	311.51
MDL Number	MFCD00077317
SMILES	CCCCCCCNC1CCCC1CCCCCCC(=O)O
Synonym	13-azaprostanoic acid,7-1s,2s-2-heptylamino cyclopentyl heptanoic acid,13-azaprostan-1-oic acid,chembl9811,bml1-g10,+/-13-azaprostanoic acid,cyclopentaneheptanoicacid, 2-heptylamino-, 1s,2s,cyclopentaneheptanoic acid, 2-heptylamino-, 1s-trans
IUPAC Name	7-[(1S,2S)-2-(heptylamino)cyclopentyl]heptanoic acid
InChI Key	RZZNGDIYQSCFGK-ROUUACIJSA-N
Molecular Formula	C19H37NO2

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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Specifications

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

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 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
InChI Key	VZCYOOQTPOCHFL-OWOJBTEDSA-N
Molecular Formula	C4H4O4

2-n-Hexyldecanoic acid, 97%

CAS: 25354-97-6 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00059651 InChI Key: JMOLZNNXZPAGBH-UHFFFAOYSA-N Synonym: decanoic acid, 2-hexyl,hexyldecanoic acid,c16 guerbet fatty acid,2-hexyldecansaeure,7-pentadecanecarboxylic acid,2-hexyldecansaeure german,2-hexyl-decanoic acid,2-n-hexyldecanoic acid,2-hexyldecanoicacid,isocarb 16 PubChem CID: 32912 IUPAC Name: 2-hexyldecanoic acid SMILES: CCCCCCCCC(CCCCCC)C(=O)O

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Specifications

PubChem CID	32912
CAS	25354-97-6
Molecular Weight (g/mol)	256.43
MDL Number	MFCD00059651
SMILES	CCCCCCCCC(CCCCCC)C(=O)O
Synonym	decanoic acid, 2-hexyl,hexyldecanoic acid,c16 guerbet fatty acid,2-hexyldecansaeure,7-pentadecanecarboxylic acid,2-hexyldecansaeure german,2-hexyl-decanoic acid,2-n-hexyldecanoic acid,2-hexyldecanoicacid,isocarb 16
IUPAC Name	2-hexyldecanoic acid
InChI Key	JMOLZNNXZPAGBH-UHFFFAOYSA-N
Molecular Formula	C16H32O2

2,2-Difluorosuccinic acid, 94%

CAS: 665-31-6 Molecular Formula: C4H4F2O4 Molecular Weight (g/mol): 154.07 MDL Number: MFCD00040970 InChI Key: ZYLFHISLYSHWRH-UHFFFAOYSA-N Synonym: 2,2-difluorosuccinic acid,2,2-difluorosuccinicacid,butanedioic acid, 2,2-difluoro,pubchem23428,2,2-difluoro-butanedioic acid,butanedioic acid,2,2-difluoro,2,2-difluoro succinic acid,2,2-difluorobutane-1,4-dioic acid PubChem CID: 69581 IUPAC Name: 2,2-difluorobutanedioic acid SMILES: OC(=O)CC(F)(F)C(O)=O

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Specifications

PubChem CID	69581
CAS	665-31-6
Molecular Weight (g/mol)	154.07
MDL Number	MFCD00040970
SMILES	OC(=O)CC(F)(F)C(O)=O
Synonym	2,2-difluorosuccinic acid,2,2-difluorosuccinicacid,butanedioic acid, 2,2-difluoro,pubchem23428,2,2-difluoro-butanedioic acid,butanedioic acid,2,2-difluoro,2,2-difluoro succinic acid,2,2-difluorobutane-1,4-dioic acid
IUPAC Name	2,2-difluorobutanedioic acid
InChI Key	ZYLFHISLYSHWRH-UHFFFAOYSA-N
Molecular Formula	C4H4F2O4

6-Maleimidohexanoic acid

CAS: 55750-53-3 Molecular Formula: C10H13NO4 Molecular Weight (g/mol): 211.217 MDL Number: MFCD00043140 InChI Key: WOJKKJKETHYEAC-UHFFFAOYSA-N Synonym: 6-maleimidocaproic acid,6-maleimidohexanoic acid,6-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl hexanoic acid,6-maleimidocaproicacid,1h-pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo,maleimide-ch2 5-cooh,n-maleoyl-6-aminocaproic acid,n-maleoyl-6-aminohexanoic acid,1h-pyrrole-1-hexanoicacid, 2,5-dihydro-2,5-dioxo,6-2,5-dioxopyrrol-1-yl hexanoic acid PubChem CID: 573683 IUPAC Name: 6-(2,5-dioxopyrrol-1-yl)hexanoic acid SMILES: C1=CC(=O)N(C1=O)CCCCCC(=O)O

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Specifications

PubChem CID	573683
CAS	55750-53-3
Molecular Weight (g/mol)	211.217
MDL Number	MFCD00043140
SMILES	C1=CC(=O)N(C1=O)CCCCCC(=O)O
Synonym	6-maleimidocaproic acid,6-maleimidohexanoic acid,6-2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl hexanoic acid,6-maleimidocaproicacid,1h-pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo,maleimide-ch2 5-cooh,n-maleoyl-6-aminocaproic acid,n-maleoyl-6-aminohexanoic acid,1h-pyrrole-1-hexanoicacid, 2,5-dihydro-2,5-dioxo,6-2,5-dioxopyrrol-1-yl hexanoic acid
IUPAC Name	6-(2,5-dioxopyrrol-1-yl)hexanoic acid
InChI Key	WOJKKJKETHYEAC-UHFFFAOYSA-N
Molecular Formula	C10H13NO4

n-Nonanoic acid, 97%

CAS: 112-05-0 Molecular Formula: C₉H₁₈O₂ Molecular Weight (g/mol): 158.24 MDL Number: MFCD00004433 InChI Key: FBUKVWPVBMHYJY-UHFFFAOYSA-N Synonym: pelargonic acid,n-nonanoic acid,nonylic acid,pelargic acid,nonoic acid,n-nonylic acid,n-nonoic acid,1-octanecarboxylic acid,pelargon,cirrasol 185a PubChem CID: 8158 ChEBI: CHEBI:29019 IUPAC Name: nonanoic acid SMILES: CCCCCCCCC(=O)O

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Specifications

PubChem CID	8158
CAS	112-05-0
Molecular Weight (g/mol)	158.24
ChEBI	CHEBI:29019
MDL Number	MFCD00004433
SMILES	CCCCCCCCC(=O)O
Synonym	pelargonic acid,n-nonanoic acid,nonylic acid,pelargic acid,nonoic acid,n-nonylic acid,n-nonoic acid,1-octanecarboxylic acid,pelargon,cirrasol 185a
IUPAC Name	nonanoic acid
InChI Key	FBUKVWPVBMHYJY-UHFFFAOYSA-N
Molecular Formula	C₉H₁₈O₂

Potassium sorbate, 99%

CAS: 24634-61-5 Molecular Formula: C₆H₇KO₂ Molecular Weight (g/mol): 150.22 InChI Key: CHHHXKFHOYLYRE-STWYSWDKSA-M Synonym: potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c PubChem CID: 23676745 ChEBI: CHEBI:77868 IUPAC Name: potassium;(2E,4E)-hexa-2,4-dienoate SMILES: CC=CC=CC(=O)[O-].[K+]

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Specifications

PubChem CID	23676745
CAS	24634-61-5
Molecular Weight (g/mol)	150.22
ChEBI	CHEBI:77868
SMILES	CC=CC=CC(=O)[O-].[K+]
Synonym	potassium sorbate,sorbistat-k,potassium 2,4-hexadienoate,sorbistat potassium,potassium e,e-sorbate,sorbic acid potassium salt,potassium 2e,4e-hexa-2,4-dienoate,bb powder,sorbistat-potassium,caswell no. 701c
IUPAC Name	potassium;(2E,4E)-hexa-2,4-dienoate
InChI Key	CHHHXKFHOYLYRE-STWYSWDKSA-M
Molecular Formula	C₆H₇KO₂

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

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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Specifications

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

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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Specifications

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

Magnesium stearate

CAS: 557-04-0 Molecular Formula: C36H70MgO4 Molecular Weight (g/mol): 591.257 MDL Number: MFCD00036391 InChI Key: HQKMJHAJHXVSDF-UHFFFAOYSA-L Synonym: magnesium stearate,magnesium octadecanoate,magnesium distearate,synpro 90,octadecanoic acid, magnesium salt,dibasic magnesium stearate,petrac mg 20nf,ns-m salt,sm-p,stearic acid, magnesium salt PubChem CID: 11177 ChEBI: CHEBI:9254 IUPAC Name: magnesium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]

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Specifications

PubChem CID	11177
CAS	557-04-0
Molecular Weight (g/mol)	591.257
ChEBI	CHEBI:9254
MDL Number	MFCD00036391
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
Synonym	magnesium stearate,magnesium octadecanoate,magnesium distearate,synpro 90,octadecanoic acid, magnesium salt,dibasic magnesium stearate,petrac mg 20nf,ns-m salt,sm-p,stearic acid, magnesium salt
IUPAC Name	magnesium;octadecanoate
InChI Key	HQKMJHAJHXVSDF-UHFFFAOYSA-L
Molecular Formula	C36H70MgO4

Fatty acid conjugates

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