CAS 28836-09-1 | 9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, (9Z,11E,15Z)- | CAS Number 28836-09-1

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28836-09-1 | 9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, (9Z,11E,15Z)-

CAS No: 28836-09-1 Catalog No: AG002WPF MDL No:

Product Description

Catalog Number:

AG002WPF

Chemical Name:

9,11,15-Octadecatrienoic acid, 13-hydroperoxy-, (9Z,11E,15Z)-

CAS Number:

28836-09-1

Molecular Formula:

C18H30O4

Molecular Weight:

310.4284

IUPAC Name:

13-hydroperoxyoctadeca-9,11,15-trienoic acid

InChI:

InChI=1S/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)

InChI Key:

UYQGVDXDXBAABN-UHFFFAOYSA-N

SMILES:

CC/C=C\CC(/C=C/C=C\CCCCCCCC(=O)O)OO

Properties

Complexity:

345

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.214g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.434g/mol

Monoisotopic Mass:

310.214g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8

Literature

Title	Journal
Oxylipin biosynthesis in spikemoss Selaginella moellendorffii: Molecular cloning and identification of divinyl ether synthases CYP74M1 and CYP74M3.	Biochimica et biophysica acta 20160401
Evidence for communality in the primary determinants of CYP74 catalysis and of structural similarities between CYP74 and classical mammalian P450 enzymes.	Proteins 20080901
Biosynthesis of trans-2-hexenal in response to wounding in strawberry fruit.	Journal of agricultural and food chemistry 20060222
The 'heterolytic hydroperoxide lyase' is an isomerase producing a short-lived fatty acid hemiacetal.	Biochimica et biophysica acta 20040227
Detection of an enol intermediate in the hydroperoxide lyase chain cleavage reaction.	FEBS letters 20030814
Purification of hydroperoxide lyase from green bell pepper (Capsicum annuum L.) fruits for the generation of C6-aldehydes in vitro.	Journal of agricultural and food chemistry 20020327
Oxygenation of (3Z)-alkenals to 4-hydroxy-(2E)-alkenals in plant extracts: a nonenzymatic process.	Biochemical and biophysical research communications 20001014