In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AAV |
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Common Name | PC(10:0/20:2(5Z,13E)(11OH[R],9Ke,15OH[S]){8a,12b}) |
Systematic Name | 1-decanoyl-2-PGE2-sn-glycero-3-phosphocholine |
Synonyms | PC(30:2(OH2,Ke,ring)); PC(10:0/20:2(OH2,Ke,ring)) |
Exact Mass | |
Formula | C38H68NO11P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | GOOXPICVXADQRS-UZOKAPAKSA-N |
InChI | InChI=1S/C38H68NO11P/c1-6-8-10-11-12-13-18-22-37(43)47-29-32(30-49-51(45,46)48-2 7-26-39(3,4)5)50-38(44)23-19-15-14-17-21-33-34(36(42)28-35(33)41)25-24-31(40)20- 16-9-7-2/h14,17,24-25,31-34,36,40,42H,6-13,15-16,18-23,26-30H2,1-5H3/b17-14-,25- 24+/t31-,32+,33+,34+,36+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)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 |
MS Spectra | - |
Status | Active (generated by computational methods) |