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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Zirconium(IV) 2-ethylhexanoate, 97%, Thermo Scientific Chemicals

CAS: 2233-42-3 Molecular Formula: C32H60O8Zr Molecular Weight (g/mol): 664.048 MDL Number: MFCD00072684 InChI Key: OFYFURKXMHQOGG-UHFFFAOYSA-J Synonym: zirconium tetra 2-ethylhexanoate,zirconium 2-ethylhexanoate,2-ethylhexanoate; zirconium 4+,zirconium iv 2-ethylhexanoate,acmc-1cfv3,zirconium octoate,2-ethylhexanoate; zirconium +4 cation,zirconium iv 2-ethylhexanoate 25g,tetrakis 2-ethylhexanoic acid zirconium iv salt,zirconium 4+ tetrakis 2-ethylhexanoate PubChem CID: 6451377 IUPAC Name: 2-ethylhexanoate;zirconium(4+) SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4]

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PubChem CID	6451377
CAS	2233-42-3
Molecular Weight (g/mol)	664.048
MDL Number	MFCD00072684
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zr+4]
Synonym	zirconium tetra 2-ethylhexanoate,zirconium 2-ethylhexanoate,2-ethylhexanoate; zirconium 4+,zirconium iv 2-ethylhexanoate,acmc-1cfv3,zirconium octoate,2-ethylhexanoate; zirconium +4 cation,zirconium iv 2-ethylhexanoate 25g,tetrakis 2-ethylhexanoic acid zirconium iv salt,zirconium 4+ tetrakis 2-ethylhexanoate
IUPAC Name	2-ethylhexanoate;zirconium(4+)
InChI Key	OFYFURKXMHQOGG-UHFFFAOYSA-J
Molecular Formula	C32H60O8Zr

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4-Methyloctanoic acid, 98%

CAS: 54947-74-9 Molecular Formula: C9H17O2 Molecular Weight (g/mol): 157.23 MDL Number: MFCD00051938 InChI Key: LEGGANXCVQPIAI-MRVPVSSYSA-M Synonym: octanoic acid, 4-methyl,4-methyl-octanoic acid,4-methylcaprylic acid,+/--4-methyloctanoic acid,4-methyl-n-octanoic acid,4-methyl octanoic acid,octanoic acid, 4-methyl-, r,fema no. 3575,acmc-20mssw,acmc-20mssx PubChem CID: 62089 IUPAC Name: 4-methyloctanoic acid SMILES: CCCC[C@@H](C)CCC([O-])=O

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PubChem CID	62089
CAS	54947-74-9
Molecular Weight (g/mol)	157.23
MDL Number	MFCD00051938
SMILES	CCCC[C@@H](C)CCC([O-])=O
Synonym	octanoic acid, 4-methyl,4-methyl-octanoic acid,4-methylcaprylic acid,+/--4-methyloctanoic acid,4-methyl-n-octanoic acid,4-methyl octanoic acid,octanoic acid, 4-methyl-, r,fema no. 3575,acmc-20mssw,acmc-20mssx
IUPAC Name	4-methyloctanoic acid
InChI Key	LEGGANXCVQPIAI-MRVPVSSYSA-M
Molecular Formula	C9H17O2

Lithium 2-ethylhexanoate

CAS: 15590-62-2 Molecular Formula: C8H15LiO2 Molecular Weight (g/mol): 150.146 MDL Number: MFCD00058702 InChI Key: MAZKNBXUMANNDL-UHFFFAOYSA-M Synonym: lithium 2-ethylhexanoate,2-ethylhexanoic acid lithium salt,hexanoic acid, 2-ethyl-, lithium salt 1:1,hexanoic acid, 2-ethyl-, lithium salt,acmc-20akn3,lithium 1+ ion 2-ethylhexanoate,lithium 1+ 2-ethylhexanoate,hexanoic acid,2-ethyl-, lithium salt 1:1 PubChem CID: 23672311 IUPAC Name: lithium;2-ethylhexanoate SMILES: [Li+].CCCCC(CC)C(=O)[O-]

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PubChem CID	23672311
CAS	15590-62-2
Molecular Weight (g/mol)	150.146
MDL Number	MFCD00058702
SMILES	[Li+].CCCCC(CC)C(=O)[O-]
Synonym	lithium 2-ethylhexanoate,2-ethylhexanoic acid lithium salt,hexanoic acid, 2-ethyl-, lithium salt 1:1,hexanoic acid, 2-ethyl-, lithium salt,acmc-20akn3,lithium 1+ ion 2-ethylhexanoate,lithium 1+ 2-ethylhexanoate,hexanoic acid,2-ethyl-, lithium salt 1:1
IUPAC Name	lithium;2-ethylhexanoate
InChI Key	MAZKNBXUMANNDL-UHFFFAOYSA-M
Molecular Formula	C8H15LiO2

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6-Heptynoic acid, 95%

CAS: 30964-00-2 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00239430 InChI Key: OFCPMJGTZUVUSM-UHFFFAOYSA-N Synonym: 6-heptynoic acid,6-heptynoicacid,6-heptynoic alcohol,ksc222a4l,ofcpmjgtzuvusm-uhfffaoysa PubChem CID: 4377950 IUPAC Name: hept-6-ynoic acid SMILES: OC(=O)CCCCC#C

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PubChem CID	4377950
CAS	30964-00-2
Molecular Weight (g/mol)	126.16
MDL Number	MFCD00239430
SMILES	OC(=O)CCCCC#C
Synonym	6-heptynoic acid,6-heptynoicacid,6-heptynoic alcohol,ksc222a4l,ofcpmjgtzuvusm-uhfffaoysa
IUPAC Name	hept-6-ynoic acid
InChI Key	OFCPMJGTZUVUSM-UHFFFAOYSA-N
Molecular Formula	C7H10O2

Tin(II) 2-ethylhexanoate, tech.

CAS: 301-10-0 Molecular Formula: C16H30O4Sn Molecular Weight (g/mol): 405.122 MDL Number: MFCD00002676 InChI Key: KSBAEPSJVUENNK-UHFFFAOYSA-L Synonym: stannous octoate,tin ii 2-ethylhexanoate,tin octoate,tin ii bis 2-ethylhexanoate,tin 2+ bis 2-ethylhexanoate,tin ethylhexanoate,tin 2-ethylhexanoate,hexanoic acid, 2-ethyl-, tin 2+ salt,stannous 2-ethylhexoate,tin ii 2-ethylhexylate PubChem CID: 9318 IUPAC Name: 2-ethylhexanoate;tin(2+) SMILES: CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]

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PubChem CID	9318
CAS	301-10-0
Molecular Weight (g/mol)	405.122
MDL Number	MFCD00002676
SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Sn+2]
Synonym	stannous octoate,tin ii 2-ethylhexanoate,tin octoate,tin ii bis 2-ethylhexanoate,tin 2+ bis 2-ethylhexanoate,tin ethylhexanoate,tin 2-ethylhexanoate,hexanoic acid, 2-ethyl-, tin 2+ salt,stannous 2-ethylhexoate,tin ii 2-ethylhexylate
IUPAC Name	2-ethylhexanoate;tin(2+)
InChI Key	KSBAEPSJVUENNK-UHFFFAOYSA-L
Molecular Formula	C16H30O4Sn

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Lithium stearate, 95%

CAS: 4485-12-5 Molecular Formula: C₁₈H₃₅LiO₂ Molecular Weight (g/mol): 290.41 MDL Number: MFCD00042032 InChI Key: HGPXWXLYXNVULB-UHFFFAOYSA-M Synonym: lithium stearate,lithium octadecanoate,octadecanoic acid, lithium salt,stearic acid, lithium salt,lithalure,litholite,stavinor,lithium stearate, pure,stearic acid lithium salt,unii-p31mc94p70 PubChem CID: 517357 IUPAC Name: lithium;octadecanoate SMILES: [Li+].CCCCCCCCCCCCCCCCCC(=O)[O-]

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PubChem CID	517357
CAS	4485-12-5
Molecular Weight (g/mol)	290.41
MDL Number	MFCD00042032
SMILES	[Li+].CCCCCCCCCCCCCCCCCC(=O)[O-]
Synonym	lithium stearate,lithium octadecanoate,octadecanoic acid, lithium salt,stearic acid, lithium salt,lithalure,litholite,stavinor,lithium stearate, pure,stearic acid lithium salt,unii-p31mc94p70
IUPAC Name	lithium;octadecanoate
InChI Key	HGPXWXLYXNVULB-UHFFFAOYSA-M
Molecular Formula	C₁₈H₃₅LiO₂

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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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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

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trans-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

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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

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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

Lauric Acid 98.0+%, TCI America™

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

3-Hydroxymyristic Acid 98.0+%, TCI America™

CAS: 1961-72-4 Molecular Formula: C14H28O3 Molecular Weight (g/mol): 244.375 MDL Number: MFCD00059633 InChI Key: ATRNZOYKSNPPBF-UHFFFAOYSA-N Synonym: 3-Hydroxytetradecanoic Acid PubChem CID: 16064 ChEBI: CHEBI:85148 IUPAC Name: 3-hydroxytetradecanoic acid SMILES: CCCCCCCCCCCC(CC(=O)O)O

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PubChem CID	16064
CAS	1961-72-4
Molecular Weight (g/mol)	244.375
ChEBI	CHEBI:85148
MDL Number	MFCD00059633
SMILES	CCCCCCCCCCCC(CC(=O)O)O
Synonym	3-Hydroxytetradecanoic Acid
IUPAC Name	3-hydroxytetradecanoic acid
InChI Key	ATRNZOYKSNPPBF-UHFFFAOYSA-N
Molecular Formula	C14H28O3

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

Barium 2-ethylhexanoate, 20% w/w in 2-ethylhexanoic acid, Thermo Scientific™

CAS: 2457-01-4 MDL Number: MFCD00058696

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CAS	2457-01-4
MDL Number	MFCD00058696

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Ethylmalonic acid, 97+%

CAS: 601-75-2 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00002668 InChI Key: UKFXDFUAPNAMPJ-UHFFFAOYSA-N Synonym: ethylmalonic acid,2-ethylmalonic acid,propanedioic acid, ethyl,1,1-propanedicarboxylic acid,alpha-carboxybutyric acid,malonic acid, ethyl,ethylmalonate,ethyl-malonic acid,unii-432nf49dfg,ethylpropanedioic acid PubChem CID: 11756 ChEBI: CHEBI:741548 IUPAC Name: 2-ethylpropanedioic acid SMILES: CCC(C(=O)O)C(=O)O

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PubChem CID	11756
CAS	601-75-2
Molecular Weight (g/mol)	132.115
ChEBI	CHEBI:741548
MDL Number	MFCD00002668
SMILES	CCC(C(=O)O)C(=O)O
Synonym	ethylmalonic acid,2-ethylmalonic acid,propanedioic acid, ethyl,1,1-propanedicarboxylic acid,alpha-carboxybutyric acid,malonic acid, ethyl,ethylmalonate,ethyl-malonic acid,unii-432nf49dfg,ethylpropanedioic acid
IUPAC Name	2-ethylpropanedioic acid
InChI Key	UKFXDFUAPNAMPJ-UHFFFAOYSA-N
Molecular Formula	C5H8O4

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10-Undecenoic acid, 99%

CAS: 112-38-9 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00004442 InChI Key: FRPZMMHWLSIFAZ-UHFFFAOYSA-N Synonym: 10-undecenoic acid,undecylenic acid,desenex,10-hendecenoic acid,renselin,declid,sevinon,10-undecylenic acid,9-undecylenic acid,undecyl-10-enic acid PubChem CID: 5634 ChEBI: CHEBI:35045 IUPAC Name: undec-10-enoic acid SMILES: C=CCCCCCCCCC(=O)O

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Specifications

PubChem CID	5634
CAS	112-38-9
Molecular Weight (g/mol)	184.279
ChEBI	CHEBI:35045
MDL Number	MFCD00004442
SMILES	C=CCCCCCCCCC(=O)O
Synonym	10-undecenoic acid,undecylenic acid,desenex,10-hendecenoic acid,renselin,declid,sevinon,10-undecylenic acid,9-undecylenic acid,undecyl-10-enic acid
IUPAC Name	undec-10-enoic acid
InChI Key	FRPZMMHWLSIFAZ-UHFFFAOYSA-N
Molecular Formula	C11H20O2

Fatty acid conjugates

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