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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Sorbic Acid 99.0+%, TCI America™

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

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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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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Specifications

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

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Nonanoic acid, 97%

CAS: 112-05-0 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.241 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)	158.241
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

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5-Hexynoic acid, 97%

CAS: 53293-00-8 Molecular Formula: C₆H₈O₂ Molecular Weight (g/mol): 112.13 MDL Number: MFCD00066346 InChI Key: VPFMEXRVUOPYRG-UHFFFAOYSA-N Synonym: 5-hexynoic acid,5-hexyn-1-oic acid,4-ethynylbutyric acid,acmc-1an4h PubChem CID: 143036 ChEBI: CHEBI:73511 IUPAC Name: hex-5-ynoic acid SMILES: C#CCCCC(=O)O

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PubChem CID	143036
CAS	53293-00-8
Molecular Weight (g/mol)	112.13
ChEBI	CHEBI:73511
MDL Number	MFCD00066346
SMILES	C#CCCCC(=O)O
Synonym	5-hexynoic acid,5-hexyn-1-oic acid,4-ethynylbutyric acid,acmc-1an4h
IUPAC Name	hex-5-ynoic acid
InChI Key	VPFMEXRVUOPYRG-UHFFFAOYSA-N
Molecular Formula	C₆H₈O₂

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2-Ethylbutyric acid, 98%

CAS: 88-09-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002670 InChI Key: OXQGTIUCKGYOAA-UHFFFAOYSA-N Synonym: 2-ethylbutyric acid,diethylacetic acid,butanoic acid, 2-ethyl,acetic acid, diethyl,3-pentanecarboxylic acid,2-ethyl butanoic acid,diethyl acetic acid,butyric acid, 2-ethyl,2-ethyl-butyric acid,alpha-ethylbutyric acid PubChem CID: 6915 IUPAC Name: 2-ethylbutanoic acid SMILES: CCC(CC)C(=O)O

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PubChem CID	6915
CAS	88-09-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00002670
SMILES	CCC(CC)C(=O)O
Synonym	2-ethylbutyric acid,diethylacetic acid,butanoic acid, 2-ethyl,acetic acid, diethyl,3-pentanecarboxylic acid,2-ethyl butanoic acid,diethyl acetic acid,butyric acid, 2-ethyl,2-ethyl-butyric acid,alpha-ethylbutyric acid
IUPAC Name	2-ethylbutanoic acid
InChI Key	OXQGTIUCKGYOAA-UHFFFAOYSA-N
Molecular Formula	C6H12O2

Calcium stearate

CAS: 1592-23-0 Molecular Formula: C36H70CaO4 Molecular Weight (g/mol): 607.03 MDL Number: MFCD00036390 InChI Key: CJZGTCYPCWQAJB-UHFFFAOYSA-L Synonym: calcium stearate,calcium octadecanoate,flexichem,calcium distearate,octadecanoic acid, calcium salt,aquacal,calstar,flexichem cs,stavinor 30,stearates PubChem CID: 15324 IUPAC Name: calcium;octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]

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PubChem CID	15324
CAS	1592-23-0
Molecular Weight (g/mol)	607.03
MDL Number	MFCD00036390
SMILES	CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
Synonym	calcium stearate,calcium octadecanoate,flexichem,calcium distearate,octadecanoic acid, calcium salt,aquacal,calstar,flexichem cs,stavinor 30,stearates
IUPAC Name	calcium;octadecanoate
InChI Key	CJZGTCYPCWQAJB-UHFFFAOYSA-L
Molecular Formula	C36H70CaO4

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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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Specifications

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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4,4,4-Trifluoro-2-methylbutyric acid, 95%, Thermo Scientific™

CAS: 99783-23-0 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.104 MDL Number: MFCD00190640 InChI Key: OBUKEMPWKGDRJV-UHFFFAOYSA-N Synonym: 2-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-2-methyl-butanoic acid,2-methyl-4,4,4-trifluorobutanoic acid,4,4,4-trifluoro-2-methylbutyric acid,2-methyl-4,4,4-trifluorobutanoic acid,butanoic acid, 4,4,4-trifluoro-2-methyl,4,4,4-tris fluoranyl-2-methyl-butanoic acid PubChem CID: 2775536 IUPAC Name: 4,4,4-trifluoro-2-methylbutanoic acid SMILES: CC(CC(F)(F)F)C(=O)O

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PubChem CID	2775536
CAS	99783-23-0
Molecular Weight (g/mol)	156.104
MDL Number	MFCD00190640
SMILES	CC(CC(F)(F)F)C(=O)O
Synonym	2-methyl-4,4,4-trifluorobutyric acid,4,4,4-trifluoro-2-methyl-butanoic acid,2-methyl-4,4,4-trifluorobutanoic acid,4,4,4-trifluoro-2-methylbutyric acid,2-methyl-4,4,4-trifluorobutanoic acid,butanoic acid, 4,4,4-trifluoro-2-methyl,4,4,4-tris fluoranyl-2-methyl-butanoic acid
IUPAC Name	4,4,4-trifluoro-2-methylbutanoic acid
InChI Key	OBUKEMPWKGDRJV-UHFFFAOYSA-N
Molecular Formula	C5H7F3O2

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2-Methyl-4-pentenoic acid, 98%

CAS: 1575-74-2 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00015570 InChI Key: HVRZYSHVZOELOH-UHFFFAOYSA-N Synonym: 2-methyl-4-pentenoic acid,4-pentenoic acid, 2-methyl,2-methylpent-4-en-1-oic acid,fema no. 3511,2-methyl-4-pentenoicacid,methylallylacetic acid,acmc-209dg9,2-methyl-pent-4-enoic acid,hvrzyshvzoeloh-uhfffaoysa,2-methyl-4-pentenoic acid, fg PubChem CID: 549519 IUPAC Name: 2-methylpent-4-enoic acid SMILES: CC(CC=C)C(=O)O

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PubChem CID	549519
CAS	1575-74-2
Molecular Weight (g/mol)	114.144
MDL Number	MFCD00015570
SMILES	CC(CC=C)C(=O)O
Synonym	2-methyl-4-pentenoic acid,4-pentenoic acid, 2-methyl,2-methylpent-4-en-1-oic acid,fema no. 3511,2-methyl-4-pentenoicacid,methylallylacetic acid,acmc-209dg9,2-methyl-pent-4-enoic acid,hvrzyshvzoeloh-uhfffaoysa,2-methyl-4-pentenoic acid, fg
IUPAC Name	2-methylpent-4-enoic acid
InChI Key	HVRZYSHVZOELOH-UHFFFAOYSA-N
Molecular Formula	C6H10O2

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2,2-Dimethylhexanoic acid, 94%, Thermo Scientific Chemicals

CAS: 813-72-9 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00965097 InChI Key: YTTWDTVYXAEAJA-UHFFFAOYSA-N Synonym: 2,2-dimethyl-hexanoic acid,hexanoic acid,2,2-dimethyl,2,2-dimethylhexanoicacid,dimethylhexanoic acid,dimethyl-hexanoic acid,acmc-209plb,2,2-dimethyl hexanoic acid,#,hexanoic acid, 2,2-dimethyl,yttwdtvyxaeaja-uhfffaoysa PubChem CID: 163217 IUPAC Name: 2,2-dimethylhexanoic acid SMILES: CCCCC(C)(C)C(O)=O

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PubChem CID	163217
CAS	813-72-9
Molecular Weight (g/mol)	144.21
MDL Number	MFCD00965097
SMILES	CCCCC(C)(C)C(O)=O
Synonym	2,2-dimethyl-hexanoic acid,hexanoic acid,2,2-dimethyl,2,2-dimethylhexanoicacid,dimethylhexanoic acid,dimethyl-hexanoic acid,acmc-209plb,2,2-dimethyl hexanoic acid,#,hexanoic acid, 2,2-dimethyl,yttwdtvyxaeaja-uhfffaoysa
IUPAC Name	2,2-dimethylhexanoic acid
InChI Key	YTTWDTVYXAEAJA-UHFFFAOYSA-N
Molecular Formula	C8H16O2

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Heptanoic acid, 98%

CAS: 111-14-8 Molecular Formula: C₇H₁₄O₂ Molecular Weight (g/mol): 130.19 MDL Number: MFCD00004426 InChI Key: MNWFXJYAOYHMED-UHFFFAOYSA-N Synonym: enanthic acid,oenanthic acid,n-heptanoic acid,enanthylic acid,heptoic acid,n-heptoic acid,n-heptylic acid,heptylic acid,oenanthylic acid,1-hexanecarboxylic acid PubChem CID: 8094 ChEBI: CHEBI:45571 IUPAC Name: heptanoic acid SMILES: CCCCCCC(=O)O

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PubChem CID	8094
CAS	111-14-8
Molecular Weight (g/mol)	130.19
ChEBI	CHEBI:45571
MDL Number	MFCD00004426
SMILES	CCCCCCC(=O)O
Synonym	enanthic acid,oenanthic acid,n-heptanoic acid,enanthylic acid,heptoic acid,n-heptoic acid,n-heptylic acid,heptylic acid,oenanthylic acid,1-hexanecarboxylic acid
IUPAC Name	heptanoic acid
InChI Key	MNWFXJYAOYHMED-UHFFFAOYSA-N
Molecular Formula	C₇H₁₄O₂

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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

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5-(2-Thienyl)pentanoic acid, 95%

CAS: 21010-06-0 Molecular Formula: C9H12O2S Molecular Weight (g/mol): 184.25 MDL Number: MFCD00151849 InChI Key: OQFTZRHAQGXEQU-UHFFFAOYSA-N Synonym: 5-2-thienyl pentanoic acid,5-thiophen-2-yl pentanoic acid,2-thiophenepentanoic acid,5-2-thienyl valeric acid,maybridge3_003072,acmc-1cq6n,5-2-thienyl-pentanoic acid,5-2-thienyl-n-valeric acid PubChem CID: 152324 IUPAC Name: 5-thiophen-2-ylpentanoic acid SMILES: OC(=O)CCCCC1=CC=CS1

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PubChem CID	152324
CAS	21010-06-0
Molecular Weight (g/mol)	184.25
MDL Number	MFCD00151849
SMILES	OC(=O)CCCCC1=CC=CS1
Synonym	5-2-thienyl pentanoic acid,5-thiophen-2-yl pentanoic acid,2-thiophenepentanoic acid,5-2-thienyl valeric acid,maybridge3_003072,acmc-1cq6n,5-2-thienyl-pentanoic acid,5-2-thienyl-n-valeric acid
IUPAC Name	5-thiophen-2-ylpentanoic acid
InChI Key	OQFTZRHAQGXEQU-UHFFFAOYSA-N
Molecular Formula	C9H12O2S

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

Fatty acid conjugates

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