In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10019ABK
Common NamePA(10:0/20:4(5Z,8Z,11Z,13E))
Systematic Name1-decanoyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphate
SynonymsPA(30:4); PA(10:0_20:4)
Exact Mass
612.3791 (neutral)    Calculate m/z:
FormulaC33H57O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassDiacylglycerophosphates [GP1001]
PubChem Compound ID (CID)-
InChIKeyLJUPDCQYQFJKGF-TYYYTARBSA-N
InChIInChI=1S/C33H57O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-33(35)41
-31(30-40-42(36,37)38)29-39-32(34)27-25-23-21-10-8-6-4-2/h12-15,17-18,20,22,31H,
3-11,16,19,21,23-30H2,1-2H3,(H2,36,37,38)/b13-12+,15-14-,18-17-,22-20-/t31-/m1/s
1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)