CHEBI:218800 - Pre-aurantiamine

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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 Pre-aurantiamine
ChEBI ID CHEBI:218800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H14N4O2
Net Charge 0
Average Mass 234.259
Monoisotopic Mass 234.11168
InChI InChI=1S/C11H14N4O2/c1-6(2)9-11(17)14-8(10(16)15-9)3-7-4-12-5-13-7/h3-6,9H,1-2H3,(H,12,13)(H,14,17)(H,15,16)/b8-3-/t9-/m0/s1
InChIKey VFDJEJCELMPUBS-CHDHTGKKSA-N
SMILES O=C/1N[C@H](C(=O)N\C1=C/C=2NC=NC2)C(C)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Pre-aurantiamine (CHEBI:218800) has functional parent α-amino acid (CHEBI:33704)
Pre-aurantiamine (CHEBI:218800) is a organonitrogen compound (CHEBI:35352)
Pre-aurantiamine (CHEBI:218800) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z,6S)-3-(1H-imidazol-5-ylmethylidene)-6-propan-2-ylpiperazine-2,5-dione
Manual Xref Database
27025497 ChemSpider
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