EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:229682 - ergothioneyl-α-D-lincosamide(+1)
| Formula | C17H31N4O7S |
| Net Charge | +1 |
| Average Mass | 435.523 |
| Monoisotopic Mass | 435.19080 |
| SMILES | C[C@@H](O)[C@@H]([NH3+])[C@H]1O[C@H](Sc2ncc(C[C@@H](C(=O)[O-])[N+](C)(C)C)n2)[C@H](O)[C@@H](O)[C@H]1O |
| InChI | InChI=1S/C17H30N4O7S/c1-7(22)10(18)14-12(24)11(23)13(25)16(28-14)29-17-19-6-8(20-17)5-9(15(26)27)21(2,3)4/h6-7,9-14,16,22-25H,5,18H2,1-4H3,(H-,19,20,26,27)/p+1/t7-,9+,10-,11+,12-,13-,14-,16-/m1/s1 |
| InChIKey | MZDFOQLXMBUKGA-KSZMXYAJSA-O |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ergothioneyl-α-D-lincosamide(+1) (CHEBI:229682) is a S-glycosyl compound (CHEBI:35275) |
| ergothioneyl-α-D-lincosamide(+1) (CHEBI:229682) is a monosaccharide derivative (CHEBI:63367) |
| ergothioneyl-α-D-lincosamide(+1) (CHEBI:229682) is a quaternary ammonium ion (CHEBI:35267) |
| UniProt Name | Source |
|---|---|
| ergothioneyl-α-D-lincosamide | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-22829 | MetaCyc |
| Citations |
|---|