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CHEBI:169316 - L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid

Default Structure
ChEBI IDCHEBI:169316
ChEBI NameL-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC5H9N3O3
Net Charge0
Average Mass159.145
Monoisotopic Mass159.06439
SMILESNC1=NC(C(=O)O)CCON1
InChIInChI=1S/C5H9N3O3/c6-5-7-3(4(9)10)1-2-11-8-5/h3H,1-2H2,(H,9,10)(H3,6,7,8)
InChIKeyUZFZWWMIJQSJMA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid (CHEBI:169316) has functional parent α-amino acid (CHEBI:33704)
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid (CHEBI:169316) is a organonitrogen compound (CHEBI:35352)
L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid (CHEBI:169316) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-amino-2,5,6,7-tetrahydro-1,2,4-oxadiazepine-5-carboxylic acid
Manual XrefsDatabases
35013190ChemSpider
HMDB0030402HMDB