In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07079AA5
Common NameLPIP[5'](P-18:1(11Z)/0:0)
Systematic Name1-(1Z,11Z-octadecadienyl)-sn-glycero-3-phosphoinositol-5-phosphate
Synonyms-
Exact Mass
662.2832 (neutral)    Calculate m/z:
FormulaC27H52O14P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub Class1Z-alkenylglycerophosphoinositol monophosphates [GP0707]
PubChem Compound ID (CID)-
InChIKeyCPEIOOHAUTUWMG-COJAOHSVSA-N
InChIInChI=1S/C27H52O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-38-19-21(28)2
0-39-43(36,37)41-27-24(31)22(29)23(30)26(25(27)32)40-42(33,34)35/h7-8,17-18,21-3
2H,2-6,9-16,19-20H2,1H3,(H,36,37)(H2,33,34,35)/b8-7-,18-17-/t21-,22-,23?,24?,25?
,26?,27-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)CO/C=CCCCCCCCC/C
=CCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)