In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AAT |
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Common Name | PC(10:0/18:2(9Z,15Z)(12OH[S])) |
Systematic Name | 1-decanoyl-2-(12S-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 | VSEQKPMFDUKIME-KEFBQZMKSA-N |
InChI | InChI=1S/C36H68NO9P/c1-6-8-10-12-15-19-23-27-35(39)43-31-34(32-45-47(41,42)44-30 -29-37(3,4)5)46-36(40)28-24-20-17-14-13-16-18-22-26-33(38)25-21-11-9-7-2/h9,11,1 8,22,33-34,38H,6-8,10,12-17,19-21,23-32H2,1-5H3/b11-9-,22-18-/t33-,34+/m0/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\C[C@@H](O)CC/C=C\CC)=O)COC (CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |