In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10019AAI
Common NamePA(10:0/16:0)
Systematic Name1-decanoyl-2-hexadecanoyl-sn-glycero-3-phosphate
SynonymsPA(26:0); PA(10:0_16:0)
Exact Mass
564.3791 (neutral)    Calculate m/z:
FormulaC29H57O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassDiacylglycerophosphates [GP1001]
PubChem Compound ID (CID)-
InChIKeyNLQXWVJAJKESAP-HHHXNRCGSA-N
InChIInChI=1S/C29H57O8P/c1-3-5-7-9-11-12-13-14-15-16-18-20-22-24-29(31)37-27(26-36-38
(32,33)34)25-35-28(30)23-21-19-17-10-8-6-4-2/h27H,3-26H2,1-2H3,(H2,32,33,34)/t27
-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)