In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01019AAC
Common NamePC(10:0/12:0)
Systematic Name1-decanoyl-2-dodecanoyl-sn-glycero-3-phosphocholine
SynonymsPC(22:0); PC(10:0_12:0)
Exact Mass
593.4057 (neutral)    Calculate m/z:
FormulaC30H60NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassDiacylglycerophosphocholines [GP0101]
PubChem Compound ID (CID)-
InChIKeyDPOHDXPNOVIJBZ-MUUNZHRXSA-N
InChIInChI=1S/C30H60NO8P/c1-6-8-10-12-14-15-17-19-21-23-30(33)39-28(27-38-40(34,35)37
-25-24-31(3,4)5)26-36-29(32)22-20-18-16-13-11-9-7-2/h28H,6-27H2,1-5H3/t28-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)