In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05059ABH
Common NameLPGP(20:3(8Z,11Z,14Z)/0:0)
Systematic Name1-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
Synonyms-
Exact Mass
614.2621 (neutral)    Calculate m/z:
FormulaC26H48O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassMonoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)-
InChIKeyRIVRTKUXFITFET-NQJILSKFSA-N
InChIInChI=1S/C26H48O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)35-2
0-24(27)22-37-40(33,34)38-23-25(28)21-36-39(30,31)32/h6-7,9-10,12-13,24-25,27-28
H,2-5,8,11,14-23H2,1H3,(H,33,34)(H2,30,31,32)/b7-6-,10-9-,13-12-/t24-,25+/m1/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCCCCC/C=CC/C=CC/C=CCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)