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Chemical structure of LysoPE(18:2/0:0)

GC75558

LysoPE(18:2/0:0)

Also known as [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-octadeca-9,12-dienoate

LysoPE(18:2/0:0) is a serum metabolite and a potential biomarker for the combined toxicity of DEHP and Aroclor 1254

ChemicalCAS85046-18-0MW477.57FormulaC23H44NO7P
CAS number
85046-18-0
Molecular weight
477.57
Formula
C23H44NO7P
InChIKey
DBHKHNGBVGWQJE-USWSLJGRSA-N
Catalogue number
GC75558
Brand
GLPBIO
Computed properties PubChem CID 52925130 · XLogP 1.8 · TPSA 128 Ų · H-bond donors 3
XLogP
1.8
TPSA
128 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
23
Heavy atoms
32

SMILES CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O

Computed descriptors from PubChem (CID 52925130), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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