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Chemical structure of A1-Phytoprostane-I

GC42658

A1-Phytoprostane-I

Also known as 8-[2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopent-3-en-1-yl]octanoic acid

A1-Phytoprostane-I is a cyclopentenone isoprostane produced by the action of reactive oxygen species on α-linolenic acid in plants

ChemicalCAS1035557-09-5MW308.4FormulaC18H28O4
CAS number
1035557-09-5
Molecular weight
308.4
Formula
C18H28O4
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml,Ethanol： 10 mg/ml
InChIKey
OXXJZDJLYSMGIQ-ZRDIBKRKSA-N
Catalogue number
GC42658
Brand
GLPBIO
Computed properties PubChem CID 24978539 · XLogP 3.5 · TPSA 74.6 Ų · H-bond donors 2
XLogP
3.5
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
22

SMILES CCC(/C=C/C1C=CC(=O)C1CCCCCCCC(=O)O)O

Computed descriptors from PubChem (CID 24978539), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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