In-Silico Structure Database (LMISSD)

Common Name
PA(13:0/13:3(5Z,8E,11E)(10OH,13Ke))
Systematic Name
1-tridecanoyl-2-(10-hydroxy-13-oxo-5Z,8E,11E-tridecatrienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079AF7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
588.306338
Formula
C29H49O10P
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MDLMOL SDF CSV TSV PNG
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Main

Classification

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

String Representations

InChiKey (Click to copy)
CQWPLJFNFDXHIL-YNRONBAYSA-N
InChi (Click to copy)
InChI=1S/C29H49O10P/c1-2-3-4-5-6-7-8-9-13-16-21-28(32)37-24-27(25-38-40(34,35)36)39-29(33)22-17-14-11-10-12-15-19-26(31)20-18-23-30/h10-11,15,18-20,23,26-27,31H,2-9,12-14,16-17,21-22,24-25H2,1H3,(H2,34,35,36)/b11-10-,19-15+,20-18+/t26?,27-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCC/C=C\C/C=C/C(O)/C=C/C=O)=O)COC(CCCCCCCCCCCC)=O

References

Other Databases