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	LMGP07069AAP
Common Name	LPIP[4'](O-14:0/0:0)
Systematic Name	1-tetradecyl-sn-glycero-3-phosphoinositol-4-phosphate
Synonyms	-
Exact Mass	610.2519 (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	C23H48O14P2
Category	Glycerophospholipids [GP]
Main Class	Glycerophosphoinositol monophosphates [GP07]
Sub Class	Monoalkylglycerophosphoinositol monophosphates [GP0706]
PubChem Compound ID (CID)	-
InChIKey	QWNCWANPGIMIAA-NLOKVJAPSA-N
InChI	InChI=1S/C23H48O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-34-15-17(24)16-35-39(32,3 3)37-23-20(27)18(25)22(19(26)21(23)28)36-38(29,30)31/h17-28H,2-16H2,1H3,(H,32,33 )(H2,29,30,31)/t17-,18+,19?,20?,21?,22?,23-/m1/s1
SMILES	[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCCCCCC
MS Spectra	-
Status	Active (generated by computational methods)