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CHEBI:200456 - Trehalostatin

ChEBI IDCHEBI:200456
ChEBI NameTrehalostatin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22N2O10
Net Charge0
Average Mass366.323
Monoisotopic Mass366.12744
SMILESOCC1O[C@H](N=C2N[C@@H]3[C@H](O2)[C@@H](O)[C@@H](O)[C@]3(O)CO)C(O)C(O)[C@@H]1O
InChIInChI=1S/C13H22N2O10/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3?,4-,5?,6?,7-,8-,9-,10-,11+,13+/m1/s1
InChIKeyNRKVPNOUINUNKY-VPSHYXMISA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - DOI (10.1039/c39910000919)
ChEBI Ontology
Outgoing Relation(s)
Trehalostatin (CHEBI:200456) is a N-glycosyl compound (CHEBI:21731)
IUPAC Name 
(3aR,4R,5R,6S,6aS)-4-(hydroxymethyl)-2-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imino-3a,5,6,6a-tetrahydro-3H-cyclopenta[d][1,3]oxazole-4,5,6-triol
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78445750ChemSpider