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	LMGP05059AEC
Common Name	LPGP(0:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name	2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'- phosphate)
Synonyms	-
Exact Mass	668.3091 (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	C30H54O12P2
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoglycerophosphates [GP05]
Sub Class	Monoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)	-
InChIKey	QPJLPYCDJNCSIK-CFPSYWRLSA-N
InChI	InChI=1S/C31H56O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2 3-24-31(34)43-30(25-32)28-42-45(38,39)41-27-29(33)26-40-44(35,36)37/h10-11,13-14 ,16-17,19-20,29-30,32-33H,2-9,12,15,18,21-28H2,1H3,(H,38,39)(H2,35,36,37)/b11-10 -,14-13-,17-16-,20-19-/t29-,30+/m0/s1
SMILES	[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCC/C=CC/C=CC/C=CC/C=CCCCCCCCCC)=O)CO )(=O)O
MS Spectra	-
Status	Active (generated by computational methods)