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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Suberic acid, 99%

CAS: 505-48-6 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.20 MDL Number: MFCD00004428 InChI Key: TYFQFVWCELRYAO-UHFFFAOYSA-N Synonym: suberic acid,cork acid,1,6-hexanedicarboxylic acid,1,8-octanedioic acid,hexamethylenedicarboxylic acid,subericacid,1,6-dicarboxyhexane,octane-1,8-dioic acid,octanedioc acid,unii-6u7y4m9c1h PubChem CID: 10457 ChEBI: CHEBI:9300 IUPAC Name: octanedioic acid SMILES: OC(=O)CCCCCCC(O)=O

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PubChem CID	10457
CAS	505-48-6
Molecular Weight (g/mol)	174.20
ChEBI	CHEBI:9300
MDL Number	MFCD00004428
SMILES	OC(=O)CCCCCCC(O)=O
Synonym	suberic acid,cork acid,1,6-hexanedicarboxylic acid,1,8-octanedioic acid,hexamethylenedicarboxylic acid,subericacid,1,6-dicarboxyhexane,octane-1,8-dioic acid,octanedioc acid,unii-6u7y4m9c1h
IUPAC Name	octanedioic acid
InChI Key	TYFQFVWCELRYAO-UHFFFAOYSA-N
Molecular Formula	C8H14O4

Zinc stearate, ZnO 12.5-14%

CAS: 557-05-1 Molecular Formula: C36H70O4Zn Molecular Weight (g/mol): 632.332 MDL Number: MFCD00013031 InChI Key: XOOUIPVCVHRTMJ-UHFFFAOYSA-L Synonym: zinc stearate,zinc distearate,zinc octadecanoate,stearates,hydense,metallac,hytech,mathe,coad,zink distearat PubChem CID: 11178 IUPAC Name: zinc;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]

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PubChem CID	11178
CAS	557-05-1
Molecular Weight (g/mol)	632.332
MDL Number	MFCD00013031
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Zn+2]
Synonym	zinc stearate,zinc distearate,zinc octadecanoate,stearates,hydense,metallac,hytech,mathe,coad,zink distearat
IUPAC Name	zinc;octadecanoate
InChI Key	XOOUIPVCVHRTMJ-UHFFFAOYSA-L
Molecular Formula	C36H70O4Zn

Copper(II) 2-ethylhexanoate

CAS: 149-11-1 Molecular Formula: C16H32CuO4 Molecular Weight (g/mol): 351.974 MDL Number: MFCD00015695 InChI Key: SZXCZUDYSKBGSX-UHFFFAOYSA-N Synonym: copper bis 2-ethylhexanoate PubChem CID: 85309523 IUPAC Name: copper;2-ethylhexanoic acid SMILES: CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Cu]

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PubChem CID	85309523
CAS	149-11-1
Molecular Weight (g/mol)	351.974
MDL Number	MFCD00015695
SMILES	CCCCC(CC)C(=O)O.CCCCC(CC)C(=O)O.[Cu]
Synonym	copper bis 2-ethylhexanoate
IUPAC Name	copper;2-ethylhexanoic acid
InChI Key	SZXCZUDYSKBGSX-UHFFFAOYSA-N
Molecular Formula	C16H32CuO4

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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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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

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Behenic acid, tech. 85%

CAS: 112-85-6 Molecular Formula: C22H44O2 Molecular Weight (g/mol): 340.592 MDL Number: MFCD00002807 InChI Key: UKMSUNONTOPOIO-UHFFFAOYSA-N Synonym: behenic acid,1-docosanoic acid,n-docosanoic acid,hydrofol acid 560,docosoic acid,hydrofol 2022-55,glycon b-70,behensaeure,docosanoicacid,docosansaeure PubChem CID: 8215 ChEBI: CHEBI:28941 IUPAC Name: docosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)O

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PubChem CID	8215
CAS	112-85-6
Molecular Weight (g/mol)	340.592
ChEBI	CHEBI:28941
MDL Number	MFCD00002807
SMILES	CCCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	behenic acid,1-docosanoic acid,n-docosanoic acid,hydrofol acid 560,docosoic acid,hydrofol 2022-55,glycon b-70,behensaeure,docosanoicacid,docosansaeure
IUPAC Name	docosanoic acid
InChI Key	UKMSUNONTOPOIO-UHFFFAOYSA-N
Molecular Formula	C22H44O2

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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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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

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cis,cis-Muconic acid, 98%

CAS: 1119-72-8 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00085266 InChI Key: TXXHDPDFNKHHGW-ZPUQHVIOSA-N Synonym: cis,cis-muconic acid,2z,4z-hexa-2,4-dienedioic acid,cis,cis-muconate,unii-2g78tuq51g,cis,cis-2,4-hexadienedioic acid,2,4-hexadienedioic acid, z,z,2z,4z-hexadienedioic acid,cis,cis-hexadienedioate,z,z-2,4-hexadienedioic acid,2,4-hexadienedioic acid PubChem CID: 5280518 ChEBI: CHEBI:16508 SMILES: OC(=O)\C=C\C=C\C(O)=O

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PubChem CID	5280518
CAS	1119-72-8
Molecular Weight (g/mol)	142.11
ChEBI	CHEBI:16508
MDL Number	MFCD00085266
SMILES	OC(=O)\C=C\C=C\C(O)=O
Synonym	cis,cis-muconic acid,2z,4z-hexa-2,4-dienedioic acid,cis,cis-muconate,unii-2g78tuq51g,cis,cis-2,4-hexadienedioic acid,2,4-hexadienedioic acid, z,z,2z,4z-hexadienedioic acid,cis,cis-hexadienedioate,z,z-2,4-hexadienedioic acid,2,4-hexadienedioic acid
InChI Key	TXXHDPDFNKHHGW-ZPUQHVIOSA-N
Molecular Formula	C6H6O4

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Lauric acid, sodium salt, 98%

CAS: 629-25-4 Molecular Formula: C12H23NaO2 Molecular Weight (g/mol): 222.30 MDL Number: MFCD00041754 InChI Key: BTURAGWYSMTVOW-UHFFFAOYSA-M Synonym: sodium dodecanoate,sodium laurate,lauric acid sodium salt,dodecanoic acid, sodium salt,lauric acid, sodium salt,dodecanoic acid sodium salt,lauran sodny czech,caswell no. 778a,unii-k146mr5exo,epa pesticide chemical code 079026 PubChem CID: 2735067 IUPAC Name: sodium;dodecanoate SMILES: [Na+].CCCCCCCCCCCC([O-])=O

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PubChem CID	2735067
CAS	629-25-4
Molecular Weight (g/mol)	222.30
MDL Number	MFCD00041754
SMILES	[Na+].CCCCCCCCCCCC([O-])=O
Synonym	sodium dodecanoate,sodium laurate,lauric acid sodium salt,dodecanoic acid, sodium salt,lauric acid, sodium salt,dodecanoic acid sodium salt,lauran sodny czech,caswell no. 778a,unii-k146mr5exo,epa pesticide chemical code 079026
IUPAC Name	sodium;dodecanoate
InChI Key	BTURAGWYSMTVOW-UHFFFAOYSA-M
Molecular Formula	C12H23NaO2

Dodecanoic acid, typically 99.5%

CAS: 143-07-7 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00002736 InChI Key: POULHZVOKOAJMA-UHFFFAOYSA-N Synonym: lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12 PubChem CID: 3893 ChEBI: CHEBI:30805 IUPAC Name: dodecanoic acid SMILES: CCCCCCCCCCCC(=O)O

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PubChem CID	3893
CAS	143-07-7
Molecular Weight (g/mol)	200.322
ChEBI	CHEBI:30805
MDL Number	MFCD00002736
SMILES	CCCCCCCCCCCC(=O)O
Synonym	lauric acid,n-dodecanoic acid,dodecylic acid,vulvic acid,laurostearic acid,dodecoic acid,duodecylic acid,1-undecanecarboxylic acid,aliphat no. 4,neo-fat 12
IUPAC Name	dodecanoic acid
InChI Key	POULHZVOKOAJMA-UHFFFAOYSA-N
Molecular Formula	C12H24O2

Mycophenolic acid, 98%

CAS: 24280-93-1 Molecular Formula: C17H20O6 Molecular Weight (g/mol): 320.341 MDL Number: MFCD00036814 InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N Synonym: mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid PubChem CID: 446541 ChEBI: CHEBI:168396 IUPAC Name: (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid SMILES: CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC

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PubChem CID	446541
CAS	24280-93-1
Molecular Weight (g/mol)	320.341
ChEBI	CHEBI:168396
MDL Number	MFCD00036814
SMILES	CC1=C(C(=C(C2=C1COC2=O)O)CC=C(C)CCC(=O)O)OC
Synonym	mycophenolic acid,mycophenolate,melbex,myfortic,mycophenolsaeure,acido micofenolico,micofenolico acido,acide mycophenolique,acidum mycophenolicum,6-4-hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl-4-methyl-4-hexenoic acid
IUPAC Name	(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoic acid
InChI Key	HPNSFSBZBAHARI-RUDMXATFSA-N
Molecular Formula	C17H20O6

Palmitic acid, 95.2%, MP Biomedicals™

CAS: 57-10-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00002747 InChI Key: IPCSVZSSVZVIGE-UHFFFAOYSA-N Synonym: palmitic acid,cetylic acid,palmitate,n-hexadecanoic acid,hexadecylic acid,hydrofol,n-hexadecoic acid,1-pentadecanecarboxylic acid,palmitinic acid,pentadecanecarboxylic acid PubChem CID: 985 ChEBI: CHEBI:15756 IUPAC Name: hexadecanoic acid SMILES: CCCCCCCCCCCCCCCC(O)=O

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PubChem CID	985
CAS	57-10-3
Molecular Weight (g/mol)	256.43
ChEBI	CHEBI:15756
MDL Number	MFCD00002747
SMILES	CCCCCCCCCCCCCCCC(O)=O
Synonym	palmitic acid,cetylic acid,palmitate,n-hexadecanoic acid,hexadecylic acid,hydrofol,n-hexadecoic acid,1-pentadecanecarboxylic acid,palmitinic acid,pentadecanecarboxylic acid
IUPAC Name	hexadecanoic acid
InChI Key	IPCSVZSSVZVIGE-UHFFFAOYSA-N
Molecular Formula	C16H32O2

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Heptadecanoic acid, 98%

CAS: 506-12-7 Molecular Formula: C₁₇H₃₄O₂ Molecular Weight (g/mol): 270.44 MDL Number: MFCD00002751 InChI Key: KEMQGTRYUADPNZ-UHFFFAOYSA-N Synonym: margaric acid,n-heptadecanoic acid,margarinic acid,n-heptadecylic acid,n-heptadecoic acid,heptadecylic acid,fatty acids, c16-18,unii-v987y9oz8l,normal-heptadecanoic acid,margarinate PubChem CID: 10465 ChEBI: CHEBI:32365 IUPAC Name: heptadecanoic acid SMILES: CCCCCCCCCCCCCCCCC(=O)O

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PubChem CID	10465
CAS	506-12-7
Molecular Weight (g/mol)	270.44
ChEBI	CHEBI:32365
MDL Number	MFCD00002751
SMILES	CCCCCCCCCCCCCCCCC(=O)O
Synonym	margaric acid,n-heptadecanoic acid,margarinic acid,n-heptadecylic acid,n-heptadecoic acid,heptadecylic acid,fatty acids, c16-18,unii-v987y9oz8l,normal-heptadecanoic acid,margarinate
IUPAC Name	heptadecanoic acid
InChI Key	KEMQGTRYUADPNZ-UHFFFAOYSA-N
Molecular Formula	C₁₇H₃₄O₂

Sodium stearate

CAS: 822-16-2 Molecular Formula: C18H35NaO2 Molecular Weight (g/mol): 306.466 MDL Number: MFCD00036404 InChI Key: RYYKJJJTJZKILX-UHFFFAOYSA-M Synonym: sodium stearate,sodium octadecanoate,octadecanoic acid, sodium salt,stearates,stearic acid, sodium salt,prodhygine,flexichem b,stearic acid sodium salt,bonderlube 235,unii-qu7e2xa9tg PubChem CID: 2724691 IUPAC Name: sodium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]

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PubChem CID	2724691
CAS	822-16-2
Molecular Weight (g/mol)	306.466
MDL Number	MFCD00036404
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
Synonym	sodium stearate,sodium octadecanoate,octadecanoic acid, sodium salt,stearates,stearic acid, sodium salt,prodhygine,flexichem b,stearic acid sodium salt,bonderlube 235,unii-qu7e2xa9tg
IUPAC Name	sodium;octadecanoate
InChI Key	RYYKJJJTJZKILX-UHFFFAOYSA-M
Molecular Formula	C18H35NaO2

3-Hydroxy-3-methylbutyric acid, 96%

CAS: 625-08-1 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00059081 InChI Key: AXFYFNCPONWUHW-UHFFFAOYSA-N Synonym: beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate PubChem CID: 69362 ChEBI: CHEBI:37084 IUPAC Name: 3-hydroxy-3-methylbutanoic acid SMILES: CC(C)(O)CC(O)=O

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PubChem CID	69362
CAS	625-08-1
Molecular Weight (g/mol)	118.13
ChEBI	CHEBI:37084
MDL Number	MFCD00059081
SMILES	CC(C)(O)CC(O)=O
Synonym	beta-hydroxyisovaleric acid,3-hydroxyisovaleric acid,3-hydroxy-3-methylbutyric acid,hmb-d6,3-oh-isovaleric acid,3-hydroxy-isovaleric acid,3-hydroxy-3-methyl-butanoic acid,butanoic acid, 3-hydroxy-3-methyl,b-hydroxyisovaleric acid,beta-hydroxy-beta-methylbutyrate
IUPAC Name	3-hydroxy-3-methylbutanoic acid
InChI Key	AXFYFNCPONWUHW-UHFFFAOYSA-N
Molecular Formula	C5H10O3

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N,N-Dimethylsuccinamic acid, 98%

CAS: 2564-95-6 Molecular Formula: C6H11NO3 Molecular Weight (g/mol): 145.158 MDL Number: MFCD00043505 InChI Key: WAIGPJMZARQZDX-UHFFFAOYSA-N Synonym: n,n-dimethylsuccinamic acid,4-dimethylamino-4-oxobutanoic acid,nn-dimethylsuccinamic acid,butanoic acid, 4-dimethylamino-4-oxo,n,n-dimethylsuccinic acid monoamide,3-dimethylcarbamoyl propanoic acid,succinamic acid, n,n-dimethyl,n-dimethyl-succinamic acid,acmc-20ak89,succinamic acid,n-dimethyl PubChem CID: 75717 IUPAC Name: 4-(dimethylamino)-4-oxobutanoic acid SMILES: CN(C)C(=O)CCC(=O)O

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PubChem CID	75717
CAS	2564-95-6
Molecular Weight (g/mol)	145.158
MDL Number	MFCD00043505
SMILES	CN(C)C(=O)CCC(=O)O
Synonym	n,n-dimethylsuccinamic acid,4-dimethylamino-4-oxobutanoic acid,nn-dimethylsuccinamic acid,butanoic acid, 4-dimethylamino-4-oxo,n,n-dimethylsuccinic acid monoamide,3-dimethylcarbamoyl propanoic acid,succinamic acid, n,n-dimethyl,n-dimethyl-succinamic acid,acmc-20ak89,succinamic acid,n-dimethyl
IUPAC Name	4-(dimethylamino)-4-oxobutanoic acid
InChI Key	WAIGPJMZARQZDX-UHFFFAOYSA-N
Molecular Formula	C6H11NO3

Fatty acid conjugates

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