In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AAN |
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Common Name | PC(10:0/18:2(8E,12Z)(10OH[S])) |
Systematic Name | 1-decanoyl-2-(10S-HODE)-sn-glycero-3-phosphocholine |
Synonyms | PC(28:2(OH)); PC(10:0/18:2(OH)) |
Exact Mass | |
Formula | C36H68NO9P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | OEFMXASXLYCPBZ-HXZSDPKTSA-N |
InChI | InChI=1S/C36H68NO9P/c1-6-8-10-12-14-19-23-27-35(39)43-31-34(32-45-47(41,42)44-30 -29-37(3,4)5)46-36(40)28-24-20-16-15-18-22-26-33(38)25-21-17-13-11-9-7-2/h17,21- 22,26,33-34,38H,6-16,18-20,23-25,27-32H2,1-5H3/b21-17-,26-22+/t33-,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCC/C=C/[C@@H](O)C/C=C\CCCCC)=O)COC (CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |