EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C48H88NO7P |
| Net Charge | 0 |
| Average Mass | 822.206 |
| Monoisotopic Mass | 821.62984 |
| SMILES | [H][C@@](COCCCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC |
| InChI | InChI=1S/C48H88NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,27,29,33,35,47H,6-14,16,18-19,24-26,28,30-32,34,36-46H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,35-33-/t47-/m1/s1 |
| InChIKey | UNAQSIZPRIMCTB-QXUJVPJQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)) | ||
| urine (BTO:0001419) | PubMed (24023812) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(o-20:1(11Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:89850) is a glycerophosphocholine (CHEBI:36313) |
| Synonyms | Source |
|---|---|
| PC(40:5) | HMDB |
| 1-Eicosenyl-2-eicsoic acid | HMDB |
| Lecithin | HMDB |
| PC(20:1/20:4) | HMDB |
| Phosphatidylcholine(20:1n9/20:4n3) | HMDB |
| Phosphatidylcholine(20:1w9/20:4w3) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0013444 | HMDB |
| Citations |
|---|