In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05059AAH
Common NameLPGP(15:1(9Z)/0:0)
Systematic Name1-(9Z-pentadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Synonyms-
Exact Mass
548.2152 (neutral)    Calculate m/z:
FormulaC21H42O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassMonoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)-
InChIKeyHZASHXCTMQWGLJ-GLCUZYPYSA-N
InChIInChI=1S/C21H42O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(24)30-15-19(22)17-32-3
5(28,29)33-18-20(23)16-31-34(25,26)27/h6-7,19-20,22-23H,2-5,8-18H2,1H3,(H,28,29)
(H2,25,26,27)/b7-6-/t19-,20+/m1/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCCCCCC/C=CCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)