In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP20019AB5
Common NamePC(10:0/9:2(5E,7E)(4Ke,9Ke))
Systematic Name1-decanoyl-2-(4,9-dioxo-5E,7E-nonadienoyl)-sn-glycero-3-phosphocholine
SynonymsPC(19:2(Ke2)); PC(10:0/9:2(Ke2))
Exact Mass
575.2859 (neutral)    Calculate m/z:
FormulaC27H46NO10P
CategoryGlycerophospholipids [GP]
Main ClassOxidized glycerophospholipids [GP20]
Sub ClassOxidized glycerophosphocholines [GP2001]
PubChem Compound ID (CID)-
InChIKeyACBLRXQCKFNQLR-QXFWBFOWSA-N
InChIInChI=1S/C27H46NO10P/c1-5-6-7-8-9-10-13-16-26(31)35-22-25(23-37-39(33,34)36-21-1
9-28(2,3)4)38-27(32)18-17-24(30)15-12-11-14-20-29/h11-12,14-15,20,25H,5-10,13,16
-19,21-23H2,1-4H3/b14-11+,15-12+/t25-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=
O
MS Spectra-     
StatusActive (generated by computational methods)