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Chemical structure of 9(S),12(S),13(S)-TriHODE

GC91692

9(S),12(S),13(S)-TriHODE

Also known as (9S,10E,12S,13S,15Z)-9,12,13-trihydroxyoctadeca-10,15-dienoic acid

9(S),12(S),13(S)-TriHODE is an α-linolenic acid-derived oxylipin that has been found in C· olitorius

ChemicalCAS95341-44-9MW328.4FormulaC18H32O5
CAS number
95341-44-9
Molecular weight
328.4
Formula
C18H32O5
InChIKey
MKYUCBXUUSZMQB-SZTSADAQSA-N
Catalogue number
GC91692
Brand
GLPBIO
Computed properties PubChem CID 10936354 · XLogP 2.6 · TPSA 98 Ų · H-bond donors 4
XLogP
2.6
TPSA
98 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
23

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

Computed descriptors from PubChem (CID 10936354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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