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	LMGP05059AAC
Common Name	LPGP(12:0/0:0)
Systematic Name	1-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Synonyms	-
Exact Mass	508.1839 (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	C18H38O12P2
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoglycerophosphates [GP05]
Sub Class	Monoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)	-
InChIKey	SRGSGLGPWAKXDW-SJORKVTESA-N
InChI	InChI=1S/C18H38O12P2/c1-2-3-4-5-6-7-8-9-10-11-18(21)27-12-16(19)14-29-32(25,26)3 0-15-17(20)13-28-31(22,23)24/h16-17,19-20H,2-15H2,1H3,(H,25,26)(H2,22,23,24)/t16 -,17+/m1/s1
SMILES	[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCCCCCCCCCC)=O)(=O)O
MS Spectra	-
Status	Active (generated by computational methods)