CAS 28979-44-4 | 11-Octadecenoic acid, 13-hydroxy-10-oxo-, (11E)- | CAS Number 28979-44-4

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28979-44-4 | 11-Octadecenoic acid, 13-hydroxy-10-oxo-, (11E)-

CAS No: 28979-44-4 Catalog No: AG002V2O MDL No:

Product Description

Catalog Number:

AG002V2O

Chemical Name:

11-Octadecenoic acid, 13-hydroxy-10-oxo-, (11E)-

CAS Number:

28979-44-4

Molecular Formula:

C18H32O4

Molecular Weight:

312.4443

IUPAC Name:

(E)-13-hydroxy-10-oxooctadec-11-enoic acid

InChI:

InChI=1S/C18H32O4/c1-2-3-8-11-16(19)14-15-17(20)12-9-6-4-5-7-10-13-18(21)22/h14-16,19H,2-13H2,1H3,(H,21,22)/b15-14+

InChI Key:

CZGIUGHMJZYXNX-CCEZHUSRSA-N

SMILES:

CCCCCC(/C=C/C(=O)CCCCCCCCC(=O)O)O

Properties

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.23g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.45g/mol

Monoisotopic Mass:

312.23g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2

Literature

Title	Journal
Effects of selected food phytochemicals in reducing the toxic actions of TCDD and p,p'-DDT in U937 macrophages.	Archives of toxicology 20101201
Linoleic acid metabolite suppresses skin inflammation and tumor promotion in mice: possible roles of programmed cell death 4 induction.	Carcinogenesis 20090701
New class of linoleic acid metabolites biosynthesized by corn and rice lipoxygenases: suppression of proinflammatory mediator expression via attenuation of MAPK- and Akt-, but not PPARgamma-, dependent pathways in stimulated macrophages.	Biochemical pharmacology 20051101