In-Silico Structure database (LMISSD)

MDLMOL SDF CSV TSV MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM ID	LMGP03069AAJ
Common Name	LPS(O-20:1(9Z)/0:0)
Systematic Name	1-(9Z-eicosenyl)-sn-glycero-3-phosphoserine
Synonyms	-
Exact Mass	537.3431 (neutral)    Calculate m/z: (Select m/z)[M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- M(neutral)
Formula	C26H52NO8P
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoserines [GP03]
Sub Class	Monoalkylglycerophosphoserines [GP0306]
PubChem Compound ID (CID)	-
InChIKey	LPDVKEXHWYGEKO-MMHKTWFYSA-N
InChI	InChI=1S/C26H52NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-33-21-24 (28)22-34-36(31,32)35-23-25(27)26(29)30/h11-12,24-25,28H,2-10,13-23,27H2,1H3,(H, 29,30)(H,31,32)/b12-11-/t24-,25+/m1/s1
SMILES	C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COCCCCCCCC/C=CCCCCCCCCCC)(=O)O
MS Spectra	-
Status	Active (generated by computational methods)