In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AB1 |
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Common Name | PC(10:0/8:1(6E)(5OH,8Ke)) |
Systematic Name | 1-decanoyl-2-(5-hydroxy-8-oxo-6E-octenoyl)-sn-glycero-3-phosphocholine |
Synonyms | PC(18:1(OH,Ke)); PC(10:0/8:1(OH,Ke)) |
Exact Mass | |
Formula | C26H48NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | QSHKTNIXYALWNN-XPQLNFFDSA-N |
InChI | InChI=1S/C26H48NO10P/c1-5-6-7-8-9-10-11-16-25(30)34-21-24(22-36-38(32,33)35-20-1 8-27(2,3)4)37-26(31)17-12-14-23(29)15-13-19-28/h13,15,19,23-24,29H,5-12,14,16-18 ,20-22H2,1-4H3/b15-13+/t23?,24-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCC(O)/C=C/C=O)=O)COC(CCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |