In-Silico Structure database (LMISSD)
| |
LM ID | LMGP20019EGV |
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Common Name | PC(36:0/4:0) |
Systematic Name | 1-hexatriacontanoyl-2-butyryl-sn-glycero-3-phosphocholine |
Synonyms | PC(40:0); PC(36:0/4:0) |
Exact Mass | |
Formula | C48H96NO8P |
Category | Glycerophospholipids [GP] |
Main Class | Oxidized glycerophospholipids [GP20] |
Sub Class | Oxidized glycerophosphocholines [GP2001] |
PubChem Compound ID (CID) | - |
InChIKey | LUOJROBBPWFTRJ-YACUFSJGSA-N |
InChI | InChI=1S/C48H96NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26- 27-28-29-30-31-32-33-34-35-36-37-38-39-41-47(50)54-44-46(57-48(51)40-7-2)45-56-5 8(52,53)55-43-42-49(3,4)5/h46H,6-45H2,1-5H3/t46-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC CCCCCCCC)=O |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |