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Chemical structure of 9(S)-HOTrE

GC42636

9(S)-HOTrE

Also known as (9S,10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid

9(S)-HOTrE is a monohydroxy polyunsaturated fatty acid produced by the action of 5-lipoxygenase on α-linolenic acid

ChemicalCAS89886-42-0MW294.4FormulaC18H30O3
CAS number
89886-42-0
Molecular weight
294.4
Formula
C18H30O3
Solubility
0·1 M Na2CO3: 2 mg/ml,DMF: Miscible,DMSO: Miscible,Ethanol: Miscible,PBS (pH 7·2): 0·8 mg/ml
InChIKey
RIGGEAZDTKMXSI-MEBVTJQTSA-N
Catalogue number
GC42636
Brand
GLPBIO
Computed properties PubChem CID 6439873 · XLogP 4.7 · TPSA 57.5 Ų · H-bond donors 2
XLogP
4.7
TPSA
57.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
13
Heavy atoms
21

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

Computed descriptors from PubChem (CID 6439873), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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