EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C42H82NO8P |
| Net Charge | 0 |
| Average Mass | 760.091 |
| Monoisotopic Mass | 759.57781 |
| SMILES | [H][C@@](COC(=O)CCCCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC |
| InChI | InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-25-22-19-17-15-13-11-9-7-2/h16,18,40H,6-15,17,19-39H2,1-5H3/b18-16-/t40-/m1/s1 |
| InChIKey | WPAONTMCEBPEAF-KWNHIAGJSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (24023812) | ||
| saliva (UBERON:0001836) | Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| PC(18:1(11Z)/16:0) (CHEBI:89677) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643) |
| Synonyms | Source |
|---|---|
| PC(18:1w7/16:0) | HMDB |
| GPCho(18:1n7/16:0) | HMDB |
| PC aa C34:1 | HMDB |
| Lecithin | HMDB |
| 1-Vaccenoyl-2-palmitoyl-sn-glycero-3-phosphocholine | HMDB |
| PC(18:1n7/16:0) | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0008067 | HMDB |
| Lecithin | Wikipedia |
| PHOSPHATIDYLCHOLINE | MetaCyc |
| Citations |
|---|