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	LMGP04069AAA
Common Name	LPG(O-14:0/0:0)
Systematic Name	1-tetradecyl-sn-glycero-3-phospho-(1'-sn-glycerol)
Synonyms	-
Exact Mass	442.2696 (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	C20H43O8P
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoglycerols [GP04]
Sub Class	Monoalkylglycerophosphoglycerols [GP0406]
PubChem Compound ID (CID)	-
InChIKey	NGISUZKXUODQPM-VQTJNVASSA-N
InChI	InChI=1S/C20H43O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-16-20(23)18-28-29(24,25) 27-17-19(22)15-21/h19-23H,2-18H2,1H3,(H,24,25)/t19-,20+/m0/s1
SMILES	[C@]([H])(O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCC
MS Spectra	-
Status	Active (generated by computational methods)