In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AAI |
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Common Name | PC(10:0/13:2(9E,11E)(8OH,13Ke)) |
Systematic Name | 1-decanoyl-2-(8-hydroxy-13-oxo-9E,11E-tridecadienoyl)-sn-glycero-3- phosphocholine |
Synonyms | PC(23:2(OH,Ke)); PC(10:0/13:2(OH,Ke)) |
Exact Mass | |
Formula | C31H56NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | UDDLRFHPXBALQS-UHHUXYKDSA-N |
InChI | InChI=1S/C31H56NO10P/c1-5-6-7-8-9-10-16-21-30(35)39-26-29(27-41-43(37,38)40-25-2 3-32(2,3)4)42-31(36)22-17-12-11-14-19-28(34)20-15-13-18-24-33/h13,15,18,20,24,28 -29,34H,5-12,14,16-17,19,21-23,25-27H2,1-4H3/b18-13+,20-15+/t28?,29-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC(O)/C=C/C=C/C=O)=O)COC(CCCCCCCC C)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |