In-Silico Structure Database (LMISSD)

OH O P O O H O O OH HO O O
Common Name
PA(15:0/13:2(9E,11E)(8OH,13Ke))
Systematic Name
1-pentadecanoyl-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3-phosphate
LM ID
LMGP20079ALU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
618.353288
Formula
C31H55O10P
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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)
DUPQTRQLHFKAMB-ZPTPOCHLSA-N
InChi (Click to copy)
InChI=1S/C31H55O10P/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-30(34)39-26-29(27-40-42(36,37)38)41-31(35)24-19-14-13-16-21-28(33)22-17-15-20-25-32/h15,17,20,22,25,28-29,33H,2-14,16,18-19,21,23-24,26-27H2,1H3,(H2,36,37,38)/b20-15+,22-17+/t28?,29-/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)COC(CCCCCCCCCCCCCC)=O

References

Other Databases