In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20069AAH |
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Common Name | PG(10:0/13:2(9E,11E)(8Ke,13Ke)) |
Systematic Name | 1-decanoyl-2-(8,13-dioxo-9E,11E-tridecadienoyl)-sn-glycero-3-phospho-(1'-sn- glycerol) |
Synonyms | PG(23:2(Ke2)); PG(10:0/13:2(Ke2)) |
Exact Mass | |
Formula | C29H49O12P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | AOYANLBUVHYVHI-YLAMIQRCSA-N |
InChI | InChI=1S/C29H49O12P/c1-2-3-4-5-6-7-13-18-28(34)38-23-27(24-40-42(36,37)39-22-26( 33)21-31)41-29(35)19-14-9-8-11-16-25(32)17-12-10-15-20-30/h10,12,15,17,20,26-27, 31,33H,2-9,11,13-14,16,18-19,21-24H2,1H3,(H,36,37)/b15-10+,17-12+/t26-,27+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC(=O)/C=C/C=C/C=O)=O)COC(CCCCCCCCC)=O)(=O )O |
MS Spectra | - |
Status | Active (generated by computational methods) |