In-Silico Structure database (LMISSD)
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LM ID | LMGP20019AAE |
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Common Name | PC(10:0/12:1(10E)(9OH,12Ke)) |
Systematic Name | 1-decanoyl-2-(9-hydroxy-12-oxo-10E-dodecenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(22:1(OH,Ke)); PC(10:0/12:1(OH,Ke)) |
Exact Mass | |
Formula | C30H56NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | WSJZDKMVBZVJHB-FEKUNEBFSA-N |
InChI | InChI=1S/C30H56NO10P/c1-5-6-7-8-9-12-15-20-29(34)38-25-28(26-40-42(36,37)39-24-2 2-31(2,3)4)41-30(35)21-16-13-10-11-14-18-27(33)19-17-23-32/h17,19,23,27-28,33H,5 -16,18,20-22,24-26H2,1-4H3/b19-17+/t27?,28-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)= O |
MS Spectra | - |
Status | Active (generated by computational methods) |