In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06069AAM
Common NameLPI(O-22:0/0:0)
Systematic Name1-docosyl-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
642.4108 (neutral)    Calculate m/z:
FormulaC31H63O11P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoalkylglycerophosphoinositols [GP0606]
PubChem Compound ID (CID)-
InChIKeyRJJZFRBOUZQVRO-QDNUVUMNSA-N
InChIInChI=1S/C31H63O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40
-23-25(32)24-41-43(38,39)42-31-29(36)27(34)26(33)28(35)30(31)37/h25-37H,2-24H2,1
H3,(H,38,39)/t25-,26?,27-,28?,29?,30?,31-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)