In-Silico Structure database (LMISSD)
| |
LM ID | LMGP01039DDQ |
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Common Name | PC(P-14:0/17:0) |
Systematic Name | 1-(1Z-tetradecenyl)-2-heptadecanoyl-sn-glycero-3-phosphocholine |
Synonyms | PC(P-31:0); PC(P-14:0/17:0) |
Exact Mass | |
Formula | C39H78NO7P |
Category | Glycerophospholipids [GP] |
Main Class | Glycerophosphocholines [GP01] |
Sub Class | 1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103] |
PubChem Compound ID (CID) | - |
InChIKey | AYKDUJFDRNTKRE-WBXWDXDJSA-N |
InChI | InChI=1S/C39H78NO7P/c1-6-8-10-12-14-16-18-20-21-22-24-26-28-30-32-39(41)47-38(37 -46-48(42,43)45-35-33-40(3,4)5)36-44-34-31-29-27-25-23-19-17-15-13-11-9-7-2/h31, 34,38H,6-30,32-33,35-37H2,1-5H3/b34-31-/t38-/m1/s1 |
SMILES | [C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCC C |
MS Spectra | - Predict MS/MS spectrum (Neg. mode) |
Status | Active (generated by computational methods) |