In-Silico Structure database (LMISSD)
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LM ID | LMGP20049AAY |
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Common Name | PS(10:0/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phosphoserine |
Synonyms | PS(30:3(Ep,Ke,ring)); PS(10:0/20:3(Ep,Ke,ring)) |
Exact Mass | |
Formula | C36H58NO12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoserines [GP2004] |
PubChem Compound ID (CID) | - |
InChIKey | JKSIWHZMXYLSDA-UGQOAMSHSA-N |
InChI | InChI=1S/C36H58NO12P/c1-3-5-7-9-11-13-15-19-34(39)45-24-28(25-46-50(43,44)47-26- 30(37)36(41)42)48-35(40)20-16-18-32-33(49-32)23-29-27(21-22-31(29)38)17-14-12-10 -8-6-4-2/h12,14,21-23,27-28,30,32-33H,3-11,13,15-20,24-26,37H2,1-2H3,(H,41,42)(H ,43,44)/b14-12-,29-23+/t27?,28-,30+,32?,33?/m1/s1 |
SMILES | C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/C=C\CCCCC)=O) COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |