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CHEBI:198970 - Trehalamine

Default Structure
ChEBI IDCHEBI:198970
ChEBI NameTrehalamine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12N2O5
Net Charge0
Average Mass204.182
Monoisotopic Mass204.07462
SMILESNC1=N[C@@H]2[C@H](O1)[C@@H](O)[C@H](O)[C@]2(O)CO
InChIInChI=1S/C7H12N2O5/c8-6-9-4-3(14-6)2(11)5(12)7(4,13)1-10/h2-5,10-13H,1H2,(H2,8,9)/t2-,3-,4-,5+,7+/m1/s1
InChIKeyBZVATLSLUPKXJY-PUKYJHRVSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8360108)
ChEBI Ontology
Outgoing Relation(s)
Trehalamine (CHEBI:198970) is a oxazole (CHEBI:35790)
IUPAC Name 
(3aR,4R,5S,6S,6aS)-2-amino-4-(hydroxymethyl)-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
Manual XrefsDatabases
8437798ChemSpider