In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01019AA7
Common NamePC(10:0/18:4(9E,11E,13E,15E))
Systematic Name1-decanoyl-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(28:4); PC(10:0_18:4)
Exact Mass
669.4370 (neutral)    Calculate m/z:
FormulaC36H64NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassDiacylglycerophosphocholines [GP0101]
PubChem Compound ID (CID)-
InChIKeyJESIMVAHKRJDHB-XSOAZHKTSA-N
InChIInChI=1S/C36H64NO8P/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/h8,10,12,1
4-18,34H,6-7,9,11,13,19-33H2,1-5H3/b10-8+,14-12+,16-15+,18-17+/t34-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)COC(CCCC
CCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)