In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20019AB2
Common NamePC(10:0/8:1(6E)(5OH,8OH,8Ke))
Systematic Name1-decanoyl-2-(5-hydroxy-7-carboxy-6E-heptenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(18:1(OH2,Ke)); PC(10:0/8:1(OH2,Ke))
Exact Mass
581.2965 (neutral)    Calculate m/z:
FormulaC26H48NO11P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphocholines [GP2001]
PubChem Compound ID (CID)-
InChIKeyIAUNPGHRXXQNSJ-NCRQRIGPSA-N
InChIInChI=1S/C26H48NO11P/c1-5-6-7-8-9-10-11-14-25(31)35-20-23(21-37-39(33,34)36-19-1
8-27(2,3)4)38-26(32)15-12-13-22(28)16-17-24(29)30/h16-17,22-23,28H,5-15,18-21H2,
1-4H3,(H-,29,30,33,34)/b17-16+/t22?,23-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C(=O)O)=O)COC(CCCCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)