CAS 139996-86-4 | Octadecenoic acid, 12,13-dihydroxy- | CAS Number 139996-86-4

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139996-86-4 | Octadecenoic acid, 12,13-dihydroxy-

CAS No: 139996-86-4 Catalog No: AG001BWI MDL No:

Product Description

Catalog Number:

AG001BWI

Chemical Name:

Octadecenoic acid, 12,13-dihydroxy-

CAS Number:

139996-86-4

Molecular Formula:

C18H34O4

Molecular Weight:

314.4602

IUPAC Name:

12,13-dihydroxyoctadec-2-enoic acid

InChI:

InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h12,15-17,19-20H,2-11,13-14H2,1H3,(H,21,22)

InChI Key:

BBCBJVDLAHSVGC-UHFFFAOYSA-N

SMILES:

CCCCCC(C(CCCCCCCCC=CC(=O)O)O)O

Properties

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.246g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.466g/mol

Monoisotopic Mass:

314.246g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Asthmatics exhibit altered oxylipin profiles compared to healthy individuals after subway air exposure.	PloS one 20110101
Dihydroxyoctadecamonoenoate esters inhibit the neutrophil respiratory burst.	Journal of biosciences 20070301
Effect of linoleic acid metabolites on Na(+)/K(+) pump current in N20.1 oligodendrocytes: role of membrane fluidity.	Toxicology and applied pharmacology 20020701
Linoleic acid, cis-epoxyoctadecenoic acids, and dihydroxyoctadecadienoic acids are toxic to Sf-21 cells in the absence of albumin.	Toxicology letters 20020207
Linoleic acid metabolites act to increase contractility in isolated rat heart.	Cardiovascular toxicology 20020101
Analysis of the toxic effects of linoleic acid, 12,13-cis-epoxyoctadecenoic acid, and 12,13-dihydroxyoctadecenoic acid in rabbit renal cortical mitochondria.	Toxicology and applied pharmacology 20010415