In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019AHA |
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Common Name | PC(13:0/4:0(4OH,4Ke)) |
Systematic Name | 1-tridecanoyl-2-succinyl-sn-glycero-3-phosphocholine |
Synonyms | PC(17:0(OH,Ke)); PC(13:0/4:0(OH,Ke)) |
Exact Mass | |
Formula | C25H48NO10P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | WVMFYAWFKGKGIB-JOCHJYFZSA-N |
InChI | InChI=1S/C25H48NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-24(29)33-20-22(36-25(30)17-1 6-23(27)28)21-35-37(31,32)34-19-18-26(2,3)4/h22H,5-21H2,1-4H3,(H-,27,28,31,32)/t 22-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC(=O)O)=O)COC(CCCCCCCCCCCC)=O |
MS Spectra | - |
Status | Active (generated by computational methods) |