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	LMGP05059ACM
Common Name	LPGP(0:0/11:0)
Systematic Name	2-undecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Synonyms	-
Exact Mass	494.1682 (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	C17H36O12P2
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoglycerophosphates [GP05]
Sub Class	Monoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)	-
InChIKey	OMOUUJYEMFNAMF-DLBZAZTESA-N
InChI	InChI=1S/C18H38O12P2/c1-2-3-4-5-6-7-8-9-10-11-18(21)30-17(12-19)15-29-32(25,26)2 8-14-16(20)13-27-31(22,23)24/h16-17,19-20H,2-15H2,1H3,(H,25,26)(H2,22,23,24)/t16 -,17+/m0/s1
SMILES	[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCC)=O)CO)(=O)O
MS Spectra	-
Status	Active (generated by computational methods)