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	LMGP08069AAU
Common Name	LPIP2[3',5'](P-20:0/0:0)
Systematic Name	1-(1Z-eicosenyl)-sn-glycero-3-phosphoinositol-3,5-bisphosphate
Synonyms	-
Exact Mass	772.2965 (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	C29H59O17P3
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoinositol bisphosphates [GP08]
Sub Class	1Z-alkenylglycerophosphoinositol bisphosphates [GP0806]
PubChem Compound ID (CID)	-
InChIKey	WWGIXHGHKDWASI-BHHLYBJFSA-N
InChI	InChI=1S/C29H59O17P3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-42-21-2 3(30)22-43-49(40,41)46-29-25(32)27(44-47(34,35)36)24(31)28(26(29)33)45-48(37,38) 39/h19-20,23-33H,2-18,21-22H2,1H3,(H,40,41)(H2,34,35,36)(H2,37,38,39)/b20-19-/t2 3-,24?,25?,26?,27-,28?,29-/m1/s1
SMILES	[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)CO/C=CC CCCCCCCCCCCCCCCCC
MS Spectra	-
Status	Active (generated by computational methods)