In-Silico Structure database (LMISSD)
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LM ID | LMGP20069AAY |
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Common Name | PG(10:0/20:3(7E,10Z,14Z)(5Ep,9Ke){8,12}) |
Systematic Name | 1-decanoyl-2-(5,6-epoxycyclopentenone)-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(30:3(Ep,Ke,ring)); PG(10:0/20:3(Ep,Ke,ring)) |
Exact Mass | |
Formula | C36H59O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | HGSMLROCEZJQAN-FGNIYCABSA-N |
InChI | InChI=1S/C36H59O12P/c1-3-5-7-9-11-13-15-19-35(40)44-26-30(27-46-49(42,43)45-25-2 9(38)24-37)47-36(41)20-16-18-33-34(48-33)23-31-28(21-22-32(31)39)17-14-12-10-8-6 -4-2/h12,14,21-23,28-30,33-34,37-38H,3-11,13,15-20,24-27H2,1-2H3,(H,42,43)/b14-1 2-,31-23+/t28?,29-,30+,33?,34?/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCC1OC1/C=C1/C(=O)C=CC/1C/C=C\CCCCC)=O)COC(CCC CCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |