In-Silico Structure database (LMISSD)
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LM ID | LMGP20069AAV |
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Common Name | PG(10:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) |
Systematic Name | 1-decanoyl-2-PGE2-sn-glycero-3-phospho-(1'-sn-glycerol) |
Synonyms | PG(30:2(OH2,Ke,ring)); PG(10:0/20:2(OH2,Ke,ring)) |
Exact Mass | |
Formula | C36H63O13P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoglycerols [GP2006] |
PubChem Compound ID (CID) | - |
InChIKey | RZOLLVGVEXEDLJ-XPYVRUJPSA-N |
InChI | InChI=1S/C36H63O13P/c1-3-5-7-8-9-10-15-19-35(42)46-26-30(27-48-50(44,45)47-25-29 (39)24-37)49-36(43)20-16-12-11-14-18-31-32(34(41)23-33(31)40)22-21-28(38)17-13-6 -4-2/h11,14,21-22,28-32,34,37-39,41H,3-10,12-13,15-20,23-27H2,1-2H3,(H,44,45)/b1 4-11-,22-21+/t28-,29-,30+,31+,32+,34+/m0/s1 |
SMILES | [H][C@](O)(CO)COP(OC[C@]([H])(OC(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H ](O)CCCCC)=O)COC(CCCCCCCCC)=O)(=O)O |
MS Spectra | - |
Status | Active (generated by computational methods) |