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	LMGP05059AA8
Common Name	LPGP(19:0/0:0)
Systematic Name	1-nonadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Synonyms	-
Exact Mass	606.2934 (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	C25H52O12P2
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoglycerophosphates [GP05]
Sub Class	Monoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)	-
InChIKey	SJPRGJMLKFKNQR-RPWUZVMVSA-N
InChI	InChI=1S/C25H52O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(28)34-19-2 3(26)21-36-39(32,33)37-22-24(27)20-35-38(29,30)31/h23-24,26-27H,2-22H2,1H3,(H,32 ,33)(H2,29,30,31)/t23-,24+/m1/s1
SMILES	[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCC)=O)(=O)O
MS Spectra	-
Status	Active (generated by computational methods)