CHEBI:189216 - Deoxyvalidamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deoxyvalidamine
ChEBI ID CHEBI:189216
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H15NO3
Net Charge 0
Average Mass 161.201
Monoisotopic Mass 161.10519
InChI InChI=1S/C7H15NO3/c8-5-1-4(3-9)6(10)2-7(5)11/h4-7,9-11H,1-3,8H2/t4-,5+,6+,7-/m1/s1
InChIKey FFRMLFVGYPMNPT-JRTVQGFMSA-N
SMILES O[C@@H]1[C@H](C[C@H](N)[C@H](O)C1)CO
Metabolite of Species Details
Arabidopsis thaliana (NCBI:txid3702) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Deoxyvalidamine (CHEBI:189216) is a cyclohexanols (CHEBI:23480)
IUPAC Name
(1S,3R,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,3-diol
Manual Xref Database
113115 ChemSpider
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Registry Number Type Source
100157-27-5 CAS Registry Number ChemIDplus