EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H16NO4S |
| Net Charge | -1 |
| Average Mass | 222.286 |
| Monoisotopic Mass | 222.08055 |
| SMILES | CSCCCCCC(C(=O)[O-])N(O)O |
| InChI | InChI=1S/C8H17NO4S/c1-14-6-4-2-3-5-7(8(10)11)9(12)13/h7,12-13H,2-6H2,1H3,(H,10,11)/p-1 |
| InChIKey | PBLLFERESQOVTJ-UHFFFAOYSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,N-dihydroxytrihomomethioninate (CHEBI:58847) is a N,N-dihydroxy-α-amino-acid anion (CHEBI:59699) |
| N,N-dihydroxytrihomomethioninate (CHEBI:58847) is conjugate base of N,N-dihydroxytrihomomethionine (CHEBI:50768) |
| Incoming Relation(s) |
| N,N-dihydroxy-L-trihomomethioninate (CHEBI:134667) is a N,N-dihydroxytrihomomethioninate (CHEBI:58847) |
| N,N-dihydroxytrihomomethionine (CHEBI:50768) is conjugate acid of N,N-dihydroxytrihomomethioninate (CHEBI:58847) |
| IUPAC Name |
|---|
| 2-(dihydroxyamino)-7-(methylsulfanyl)heptanoate |