EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C6H13NO2 |
| Net Charge | 0 |
| Average Mass | 131.175 |
| Monoisotopic Mass | 131.09463 |
| SMILES | CC[C@H](C)[C@@H](N)C(=O)O |
| InChI | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5+/m0/s1 |
| InChIKey | AGPKZVBTJJNPAG-CRCLSJGQSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| D-alloisoleucine (CHEBI:20899) is a D-α-amino acid (CHEBI:16733) |
| D-alloisoleucine (CHEBI:20899) is a alloisoleucine (CHEBI:22359) |
| D-alloisoleucine (CHEBI:20899) is enantiomer of L-alloisoleucine (CHEBI:43433) |
| D-alloisoleucine (CHEBI:20899) is tautomer of D-alloisoleucine zwitterion (CHEBI:85306) |
| Incoming Relation(s) |
| L-alloisoleucine (CHEBI:43433) is enantiomer of D-alloisoleucine (CHEBI:20899) |
| D-alloisoleucine residue (CHEBI:30007) is substituent group from D-alloisoleucine (CHEBI:20899) |
| D-alloisoleucine zwitterion (CHEBI:85306) is tautomer of D-alloisoleucine (CHEBI:20899) |
| IUPAC Name |
|---|
| D-alloisoleucine |
| Synonyms | Source |
|---|---|
| (2R,3S)-2-amino-3-methylpentanoic acid | IUPAC |
| allo-D-isoleucine | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:1721794 | Beilstein |
| Gmelin:1317451 | Gmelin |
| CAS:1509-35-9 | ChemIDplus |