In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01019AA2
Common NamePC(10:0/18:2(9Z,11Z))
Systematic Name1-decanoyl-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphocholine
SynonymsPC(28:2); PC(10:0_18:2)
Exact Mass
673.4683 (neutral)    Calculate m/z:
FormulaC36H68NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassDiacylglycerophosphocholines [GP0101]
PubChem Compound ID (CID)-
InChIKeyCHZAEXJRNLOAPQ-HSSNQHAGSA-N
InChIInChI=1S/C36H68NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-36(39)45-34
(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-13-11-9-7-2/h15-18,34H
,6-14,19-33H2,1-5H3/b16-15-,18-17-/t34-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)COC(CCCCCCCC
C)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)