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Chemical structure of 1-Palmitoyl-2-13(S)-HODE-sn-glycero-3-PC

GC92061

1-Palmitoyl-2-13(S)-HODE-sn-glycero-3-PC

Also known as [(2R)-3-hexadecanoyloxy-2-[(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-Palmitoyl-2-13(S)-HODE-sn-glycero-3-PC is an oxidized phospholipid that contains palmitic acid and 13(S)-HODE at the sn-1 and sn-2 positions, respectively

ChemicalCAS161923-56-4MW774.1FormulaC42H80NO9P
CAS number
161923-56-4
Molecular weight
774.1
Formula
C42H80NO9P
Solubility
Ethanol： Slightly Soluble： 0·1–1 mg/ml
InChIKey
YRNDWGBUIFZEKZ-CZPAHNRFSA-N
Catalogue number
GC92061
Brand
GLPBIO
Computed properties PubChem CID 172677345 · XLogP 11.7 · TPSA 131 Ų · H-bond donors 1
XLogP
11.7
TPSA
131 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
40
Heavy atoms
53

SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C=C\[C@H](CCCCC)O

Computed descriptors from PubChem (CID 172677345), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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