In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20029AAV |
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Common Name | PE(10:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) |
Systematic Name | 1-decanoyl-2-PGE2-sn-glycero-3-phosphoethanolamine |
Synonyms | PE(30:2(OH2,Ke,ring)); PE(10:0/20:2(OH2,Ke,ring)) |
Exact Mass | |
Formula | C35H62NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphoethanolamines [GP2002] |
PubChem Compound ID (CID) | - |
InChIKey | DCNAKUMZWPKGNF-LWZZAXNXSA-N |
InChI | InChI=1S/C35H62NO11P/c1-3-5-7-8-9-10-15-19-34(40)44-26-29(27-46-48(42,43)45-24-2 3-36)47-35(41)20-16-12-11-14-18-30-31(33(39)25-32(30)38)22-21-28(37)17-13-6-4-2/ h11,14,21-22,28-31,33,37,39H,3-10,12-13,15-20,23-27,36H2,1-2H3,(H,42,43)/b14-11- ,22-21+/t28-,29+,30+,31+,33+/m0/s1 |
SMILES | [C@](COP(=O)(O)OCCN)([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 |
MS Spectra | - |
Status | Active (generated by computational methods) |