In-Silico Structure Database (LMISSD)

Common Name
PA(14:1(9Z)/13:2(9E,11E)(8OH,13Ke))
Systematic Name
1-(9Z-tetradecenoyl)-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AJY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
602.321988
Formula
C30H51O10P
Download as...
MDLMOL SDF CSV TSV PNG
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]

String Representations

InChiKey (Click to copy)
SWVKNEMGNPKKLQ-QCUMSKJFSA-N
InChi (Click to copy)
InChI=1S/C30H51O10P/c1-2-3-4-5-6-7-8-9-10-11-17-22-29(33)38-25-28(26-39-41(35,36)37)40-30(34)23-18-13-12-15-20-27(32)21-16-14-19-24-31/h5-6,14,16,19,21,24,27-28,32H,2-4,7-13,15,17-18,20,22-23,25-26H2,1H3,(H2,35,36,37)/b6-5-,19-14+,21-16+/t27?,28-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)COC(CCCCCCC/C=C\CCCC)=O

References

Other Databases