In-Silico Structure Database (LMISSD)
Common Name
PA(16:1(9Z)/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12})
Systematic Name
1-(9Z-hexadecenoyl)-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phosphate
LM ID
LMGP20079ATU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
722.415888
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphates [GP2007]
String Representations
InChiKey (Click to copy)
UKZHLIYJSGOBTH-PRFZUNCPSA-N
InChi (Click to copy)
InChI=1S/C39H63O10P/c1-3-5-7-9-11-12-13-14-15-16-17-19-21-25-38(41)46-30-33(31-47-50(43,44)45)48-39(42)26-22-24-36-37(49-36)29-34-32(27-28-35(34)40)23-20-18-10-8-6-4-2/h12-13,18,20,27-29,32-33,36-37H,3-11,14-17,19,21-26,30-31H2,1-2H3,(H2,43,44,45)/b13-12-,20-18-,34-29+/t32?,33-,36?,37?/m1/s1
SMILES (Click to copy)
[C@](COP(=O)(O)O)([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCCCC)=O