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	LMGP07059AB0
Common Name	LPIP[3'](24:1(15Z)/0:0)
Systematic Name	1-(15Z-tetracosenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms	-
Exact Mass	762.3721 (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	C33H64O15P2
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoinositol monophosphates [GP07]
Sub Class	Monoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)	-
InChIKey	SSMIBIUEQRNOEG-NTTRKQIFSA-N
InChI	InChI=1S/C33H64O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-2 3-27(35)45-24-26(34)25-46-50(43,44)48-33-30(38)28(36)29(37)32(31(33)39)47-49(40, 41)42/h9-10,26,28-34,36-39H,2-8,11-25H2,1H3,(H,43,44)(H2,40,41,42)/b10-9-/t26-,2 8?,29?,30?,31?,32-,33+/m1/s1
SMILES	[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCC C/C=CCCCCCCCC)=O
MS Spectra	-
Status	Active (generated by computational methods)