EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H33N5O7S |
| Net Charge | 0 |
| Average Mass | 523.612 |
| Monoisotopic Mass | 523.21007 |
| SMILES | [H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)CCN3C(=O)C=CC3=O)C(=O)O)[C@@]1([H])NC(=O)N2 |
| InChI | InChI=1S/C23H33N5O7S/c29-17(7-2-1-6-16-21-15(13-36-16)26-23(35)27-21)24-11-4-3-5-14(22(33)34)25-18(30)10-12-28-19(31)8-9-20(28)32/h8-9,14-16,21H,1-7,10-13H2,(H,24,29)(H,25,30)(H,33,34)(H2,26,27,35)/t14-,15-,16-,21-/m0/s1 |
| InChIKey | KWNGAZCDAJSVLC-OSAWLIQMSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Nippostrongylus brasiliensis (ncbitaxon:27835) | Whole Organism (NCIT:C13413) | MetaboLights (MTBLS3486) | |
| Mus musculus (ncbitaxon:10090) | small intestine (BTO:0000651) | MetaboLights (MTBLS3486) | Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424] |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(n-maleimidopropionyl)biocytin (CHEBI:184004) is a peptide (CHEBI:16670) |
| IUPAC Name |
|---|
| (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 112900 | ChemSpider |