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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2-Hydroxy-4-methylvaleric acid, 98%

CAS: 498-36-2 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00004246 InChI Key: LVRFTAZAXQPQHI-UHFFFAOYSA-N Synonym: 2-hydroxy-4-methylvaleric acid,2-hydroxyisocaproic acid,leucic acid,dl-leucic acid,alpha-hydroxyisocaproic acid,leucinic acid,2-hydroxy-4-methyl-pentanoic acid,pentanoic acid, 2-hydroxy-4-methyl,dl-2-hydroxyisocaproic acid,leucate PubChem CID: 92779 ChEBI: CHEBI:59783 IUPAC Name: 2-hydroxy-4-methylpentanoic acid SMILES: CC(C)CC(C(=O)O)O

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PubChem CID	92779
CAS	498-36-2
Molecular Weight (g/mol)	132.159
ChEBI	CHEBI:59783
MDL Number	MFCD00004246
SMILES	CC(C)CC(C(=O)O)O
Synonym	2-hydroxy-4-methylvaleric acid,2-hydroxyisocaproic acid,leucic acid,dl-leucic acid,alpha-hydroxyisocaproic acid,leucinic acid,2-hydroxy-4-methyl-pentanoic acid,pentanoic acid, 2-hydroxy-4-methyl,dl-2-hydroxyisocaproic acid,leucate
IUPAC Name	2-hydroxy-4-methylpentanoic acid
InChI Key	LVRFTAZAXQPQHI-UHFFFAOYSA-N
Molecular Formula	C6H12O3

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Tetradecanedioic acid, 98%

CAS: 821-38-5 Molecular Formula: C14H26O4 Molecular Weight (g/mol): 258.358 MDL Number: MFCD00002743 InChI Key: HQHCYKULIHKCEB-UHFFFAOYSA-N Synonym: 1,12-dodecanedicarboxylic acid,tetradecane-1,14-dioic acid,1,14-tetradecanedioic acid,unii-uec3ac47h1,dodecamethylenedicarboxylic acid,tetradecanedicarboxylic acid,uec3ac47h1,1,12-dodecanedicarboxylicacid,tetradecanedicarboxylate,pubchem18099 PubChem CID: 13185 ChEBI: CHEBI:76308 IUPAC Name: tetradecanedioic acid SMILES: C(CCCCCCC(=O)O)CCCCCC(=O)O

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PubChem CID	13185
CAS	821-38-5
Molecular Weight (g/mol)	258.358
ChEBI	CHEBI:76308
MDL Number	MFCD00002743
SMILES	C(CCCCCCC(=O)O)CCCCCC(=O)O
Synonym	1,12-dodecanedicarboxylic acid,tetradecane-1,14-dioic acid,1,14-tetradecanedioic acid,unii-uec3ac47h1,dodecamethylenedicarboxylic acid,tetradecanedicarboxylic acid,uec3ac47h1,1,12-dodecanedicarboxylicacid,tetradecanedicarboxylate,pubchem18099
IUPAC Name	tetradecanedioic acid
InChI Key	HQHCYKULIHKCEB-UHFFFAOYSA-N
Molecular Formula	C14H26O4

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Palmitic acid, sodium salt, 98%

CAS: 408-35-5 Molecular Formula: C₁₆H₃₁NaO₂ Molecular Weight (g/mol): 278.4 MDL Number: MFCD00002749 InChI Key: GGXKEBACDBNFAF-UHFFFAOYSA-M Synonym: sodium palmitate,palmitic acid sodium salt,hexadecanoic acid, sodium salt,sodium hexadecanoate,palmitic acid, sodium salt,sodium pentadecanecarboxylate,unii-jq43kp6296,hsdb 759,hexadecanoic acid sodium salt,hexadecanoic acid,sodium salt 1:1 PubChem CID: 2735111 IUPAC Name: sodium;hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)[O-].[Na+]

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PubChem CID	2735111
CAS	408-35-5
Molecular Weight (g/mol)	278.4
MDL Number	MFCD00002749
SMILES	CCCCCCCCCCCCCCCC(=O)[O-].[Na+]
Synonym	sodium palmitate,palmitic acid sodium salt,hexadecanoic acid, sodium salt,sodium hexadecanoate,palmitic acid, sodium salt,sodium pentadecanecarboxylate,unii-jq43kp6296,hsdb 759,hexadecanoic acid sodium salt,hexadecanoic acid,sodium salt 1:1
IUPAC Name	sodium;hexadecanoate
InChI Key	GGXKEBACDBNFAF-UHFFFAOYSA-M
Molecular Formula	C₁₆H₃₁NaO₂

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Thermo Scientific Chemicals Tris-maleate, 98%

CAS: 72200-76-1 Molecular Formula: C₄H₁₁NO₃·C₄H₄O₄ Molecular Weight (g/mol): 237.21 MDL Number: MFCD00082442 InChI Key: HTMWOUBCEZXSHN-BTJKTKAUSA-N Synonym: butenedioic acid; tris buffer,2-amino-2-hydroxymethyl propane-1,3-diol; but-2-enedioic acid PubChem CID: 16218780 IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-but-2-enedioic acid SMILES: C(C(CO)(CO)N)O.C(=CC(=O)O)C(=O)O

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Specifications

PubChem CID	16218780
CAS	72200-76-1
Molecular Weight (g/mol)	237.21
MDL Number	MFCD00082442
SMILES	C(C(CO)(CO)N)O.C(=CC(=O)O)C(=O)O
Synonym	butenedioic acid; tris buffer,2-amino-2-hydroxymethyl propane-1,3-diol; but-2-enedioic acid
IUPAC Name	2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-but-2-enedioic acid
InChI Key	HTMWOUBCEZXSHN-BTJKTKAUSA-N
Molecular Formula	C₄H₁₁NO₃·C₄H₄O₄

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2,2-Dimethyl-3-butenoic acid, 95%

CAS: 10276-09-2 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00196967 InChI Key: SCFWAOWWAANBPY-UHFFFAOYSA-N PubChem CID: 139122 IUPAC Name: 2,2-dimethylbut-3-enoic acid SMILES: CC(C)(C=C)C(=O)O

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PubChem CID	139122
CAS	10276-09-2
Molecular Weight (g/mol)	114.144
MDL Number	MFCD00196967
SMILES	CC(C)(C=C)C(=O)O
IUPAC Name	2,2-dimethylbut-3-enoic acid
InChI Key	SCFWAOWWAANBPY-UHFFFAOYSA-N
Molecular Formula	C6H10O2

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Ethyl 3-cyclopropyl-3-oxopropionate, 96%

CAS: 24922-02-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00184570 InChI Key: LFSVADABIDBSBV-UHFFFAOYSA-N Synonym: 3-cyclopropyl-3-oxo-propionic acid ethyl ester,ethyl 3-cyclopropyl-3-oxo-propanoate,ethyl 3-cyclopropyl-3-oxopropionate,ethyl 3-cyclopropyl-3-oxo-propionate,ethyl beta-oxo-cyclopropane propionate,ksc205o7f,ethyl cyclopropylcarbonylacetate,carbethoxymethyl cyclopropyl ketone,ethyl ?-oxo-cyclopropanepropionate,ethyl3-cyclopropyl-3-oxopropanoate PubChem CID: 262979 IUPAC Name: ethyl 3-cyclopropyl-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1CC1

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PubChem CID	262979
CAS	24922-02-9
Molecular Weight (g/mol)	156.18
MDL Number	MFCD00184570
SMILES	CCOC(=O)CC(=O)C1CC1
Synonym	3-cyclopropyl-3-oxo-propionic acid ethyl ester,ethyl 3-cyclopropyl-3-oxo-propanoate,ethyl 3-cyclopropyl-3-oxopropionate,ethyl 3-cyclopropyl-3-oxo-propionate,ethyl beta-oxo-cyclopropane propionate,ksc205o7f,ethyl cyclopropylcarbonylacetate,carbethoxymethyl cyclopropyl ketone,ethyl ?-oxo-cyclopropanepropionate,ethyl3-cyclopropyl-3-oxopropanoate
IUPAC Name	ethyl 3-cyclopropyl-3-oxopropanoate
InChI Key	LFSVADABIDBSBV-UHFFFAOYSA-N
Molecular Formula	C8H12O3

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Sodium 2-ethylhexanoate, 97%

CAS: 19766-89-3 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 MDL Number: MFCD00014007 InChI Key: VYPDUQYOLCLEGS-UHFFFAOYNA-M Synonym: sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate PubChem CID: 23672331 IUPAC Name: sodium;2-ethylhexanoate SMILES: [Na+].CCCCC(CC)C([O-])=O

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PubChem CID	23672331
CAS	19766-89-3
Molecular Weight (g/mol)	166.20
MDL Number	MFCD00014007
SMILES	[Na+].CCCCC(CC)C([O-])=O
Synonym	sodium 2-ethylhexanoate,hexanoic acid, 2-ethyl-, sodium salt,2-ethylhexanoic acid sodium salt,sodium-2-ethylcaproate,2-ethylcaproic acid sodium salt,hexanoic acid, 2-ethyl-, sodium salt 1:1,sodium 2ethylhexanoate,sodium 2-ethylcaproate,sodium 2-ethyl-hexanoate
IUPAC Name	sodium;2-ethylhexanoate
InChI Key	VYPDUQYOLCLEGS-UHFFFAOYNA-M
Molecular Formula	C8H15NaO2

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Thermo Scientific Chemicals cis-4,7,10,13,16,19-Docosahexaenoic acid, 98%

CAS: 6217-54-5 Molecular Formula: C₂₂H₃₂O₂ Molecular Weight (g/mol): 328.49 InChI Key: MBMBGCFOFBJSGT-OBOJEMQYSA-N PubChem CID: 57417355 IUPAC Name: (4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid SMILES: CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O

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Specifications

PubChem CID	57417355
CAS	6217-54-5
Molecular Weight (g/mol)	328.49
SMILES	CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)O
IUPAC Name	(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
InChI Key	MBMBGCFOFBJSGT-OBOJEMQYSA-N
Molecular Formula	C₂₂H₃₂O₂

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trans,trans-1,3-Butadiene-1,4-dicarboxylic acid, 98%

CAS: 3588-17-8 Molecular Formula: C6H6O4 Molecular Weight (g/mol): 142.11 MDL Number: MFCD00002702 InChI Key: TXXHDPDFNKHHGW-ZPUQHVIOSA-N Synonym: trans,trans-muconic acid,muconic acid,e,e-muconic acid,2,4-hexadienedioic acid,trans, trans-muconic acid,hexa-2,4-dienedioic acid,2e,4e-hexa-2,4-dienedioic acid,1,3-butadiene-1,4-dicarboxylic acid,2,4-hexadienedioic acid, e,e,trans,trans-2,4-hexadienedioic acid PubChem CID: 5356793 ChEBI: CHEBI:27036 IUPAC Name: (2E,4E)-hexa-2,4-dienedioic acid SMILES: C(=CC(=O)O)C=CC(=O)O

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PubChem CID	5356793
CAS	3588-17-8
Molecular Weight (g/mol)	142.11
ChEBI	CHEBI:27036
MDL Number	MFCD00002702
SMILES	C(=CC(=O)O)C=CC(=O)O
Synonym	trans,trans-muconic acid,muconic acid,e,e-muconic acid,2,4-hexadienedioic acid,trans, trans-muconic acid,hexa-2,4-dienedioic acid,2e,4e-hexa-2,4-dienedioic acid,1,3-butadiene-1,4-dicarboxylic acid,2,4-hexadienedioic acid, e,e,trans,trans-2,4-hexadienedioic acid
IUPAC Name	(2E,4E)-hexa-2,4-dienedioic acid
InChI Key	TXXHDPDFNKHHGW-ZPUQHVIOSA-N
Molecular Formula	C6H6O4

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

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5-Hexenoic acid, 99%

CAS: 1577-22-6 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00046558 InChI Key: XUDOZULIAWNMIU-UHFFFAOYSA-N Synonym: 5-hexenoic acid,delta-hexenoic acid,acmc-1bnq8 PubChem CID: 15308 IUPAC Name: hex-5-enoic acid SMILES: C=CCCCC(=O)O

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Specifications

PubChem CID	15308
CAS	1577-22-6
Molecular Weight (g/mol)	114.144
MDL Number	MFCD00046558
SMILES	C=CCCCC(=O)O
Synonym	5-hexenoic acid,delta-hexenoic acid,acmc-1bnq8
IUPAC Name	hex-5-enoic acid
InChI Key	XUDOZULIAWNMIU-UHFFFAOYSA-N
Molecular Formula	C6H10O2

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Acetylenedicarboxylic acid, 98%

CAS: 142-45-0 Molecular Formula: C4H2O4 Molecular Weight (g/mol): 114.06 MDL Number: MFCD00004362 InChI Key: YTIVTFGABIZHHX-UHFFFAOYSA-N Synonym: acetylenedicarboxylic acid,2-butynedioic acid,butynedioic acid,acetylenedicarboxylate,unii-2d2oj4ko44,acetylenedicarboxylic acid 8ci,acetylendicarboxylate,hoocc=ccooh,acetylenedicarboxylicacid,pubchem13735 PubChem CID: 371 ChEBI: CHEBI:30781 IUPAC Name: but-2-ynedioic acid SMILES: OC(=O)C#CC(O)=O

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PubChem CID	371
CAS	142-45-0
Molecular Weight (g/mol)	114.06
ChEBI	CHEBI:30781
MDL Number	MFCD00004362
SMILES	OC(=O)C#CC(O)=O
Synonym	acetylenedicarboxylic acid,2-butynedioic acid,butynedioic acid,acetylenedicarboxylate,unii-2d2oj4ko44,acetylenedicarboxylic acid 8ci,acetylendicarboxylate,hoocc=ccooh,acetylenedicarboxylicacid,pubchem13735
IUPAC Name	but-2-ynedioic acid
InChI Key	YTIVTFGABIZHHX-UHFFFAOYSA-N
Molecular Formula	C4H2O4

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omega-Aminocaprylic acid, 99+%

CAS: 1002-57-9 Molecular Formula: C8H17NO2 Molecular Weight (g/mol): 159.23 MDL Number: MFCD00008245 InChI Key: UQXNEWQGGVUVQA-UHFFFAOYSA-N Synonym: 8-aminocaprylic acid,octanoic acid, 8-amino,omega-aminocaprylic acid,8-amino caprylic acid,8-amino-octanoic acid,.omega.-aminocaprylic acid,8-amino capylic acid,8ac,8-aminocapylic acid,pubchem13165 PubChem CID: 66085 IUPAC Name: 8-aminooctanoic acid SMILES: NCCCCCCCC(O)=O

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PubChem CID	66085
CAS	1002-57-9
Molecular Weight (g/mol)	159.23
MDL Number	MFCD00008245
SMILES	NCCCCCCCC(O)=O
Synonym	8-aminocaprylic acid,octanoic acid, 8-amino,omega-aminocaprylic acid,8-amino caprylic acid,8-amino-octanoic acid,.omega.-aminocaprylic acid,8-amino capylic acid,8ac,8-aminocapylic acid,pubchem13165
IUPAC Name	8-aminooctanoic acid
InChI Key	UQXNEWQGGVUVQA-UHFFFAOYSA-N
Molecular Formula	C8H17NO2

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6-Acetamidohexanoic acid hydrate, 99%

CAS: 57-08-9 Molecular Formula: C8H15NO3 Molecular Weight (g/mol): 173.21 MDL Number: MFCD00004424 InChI Key: WDSCBUNMANHPFH-UHFFFAOYSA-N Synonym: acexamic acid,6-acetylamino hexanoic acid,6-acetamidocaproic acid,plastenan,acetaminocaproic acid,acide acexamique,aeah base,hexanoic acid, 6-acetylamino,acemin,epsilon-acetamidocaproic acid PubChem CID: 2005 IUPAC Name: 6-acetamidohexanoic acid SMILES: CC(=O)NCCCCCC(O)=O

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PubChem CID	2005
CAS	57-08-9
Molecular Weight (g/mol)	173.21
MDL Number	MFCD00004424
SMILES	CC(=O)NCCCCCC(O)=O
Synonym	acexamic acid,6-acetylamino hexanoic acid,6-acetamidocaproic acid,plastenan,acetaminocaproic acid,acide acexamique,aeah base,hexanoic acid, 6-acetylamino,acemin,epsilon-acetamidocaproic acid
IUPAC Name	6-acetamidohexanoic acid
InChI Key	WDSCBUNMANHPFH-UHFFFAOYSA-N
Molecular Formula	C8H15NO3

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Hexacosanoic acid, 98%

CAS: 506-46-7 Molecular Formula: C₂₆H₅₂O₂ Molecular Weight (g/mol): 396.7 MDL Number: MFCD00002811 InChI Key: XMHIUKTWLZUKEX-UHFFFAOYSA-N Synonym: cerotic acid,ceric acid,ceratinic acid,cerinic acid,hexacosanic acid,cerylic acid,cerotinic acid,n-hexacosanoic acid,unii-d42cqn6p36,cerate PubChem CID: 10469 ChEBI: CHEBI:31009 IUPAC Name: hexacosanoic acid SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

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Specifications

PubChem CID	10469
CAS	506-46-7
Molecular Weight (g/mol)	396.7
ChEBI	CHEBI:31009
MDL Number	MFCD00002811
SMILES	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Synonym	cerotic acid,ceric acid,ceratinic acid,cerinic acid,hexacosanic acid,cerylic acid,cerotinic acid,n-hexacosanoic acid,unii-d42cqn6p36,cerate
IUPAC Name	hexacosanoic acid
InChI Key	XMHIUKTWLZUKEX-UHFFFAOYSA-N
Molecular Formula	C₂₆H₅₂O₂

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