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Chemical structure of 13(S)-HpOTrE

GC41899

13(S)-HpOTrE

Also known as (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid

13(S)-HpOTrE is a monohydroperoxy polyunsaturated fatty acid produced in soybeans by the action of soybean LO-2 on esterified α-linolenic acid

ChemicalCAS67597-26-6MW310.4FormulaC18H30O4
CAS number
67597-26-6
Molecular weight
310.4
Formula
C18H30O4
Solubility
50mg/mL in DMSO or in DMF
InChIKey
UYQGVDXDXBAABN-FQSPHKRJSA-N
Catalogue number
GC41899
Brand
GLPBIO
Computed properties PubChem CID 5497123 · XLogP 4.8 · TPSA 66.8 Ų · H-bond donors 2
XLogP
4.8
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
22

SMILES CC/C=C\C[C@@H](/C=C/C=C\CCCCCCCC(=O)O)OO

Computed descriptors from PubChem (CID 5497123), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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