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CHEBI:229592 - ambiguine A

ChEBI IDCHEBI:229592
ChEBI Nameambiguine A
Stars
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC26H31ClN2
Net Charge0
Average Mass407.001
Monoisotopic Mass406.21758
SMILES[H][C@@]12c3c(C(C)(C)C=C)nc4cccc(c34)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-]
InChIInChI=1S/C26H31ClN2/c1-9-24(3,4)22-21-19-15(12-11-13-17(19)29-22)25(5,6)16-14-18(27)26(7,10-2)23(28-8)20(16)21/h9-13,16,18,20,23,29H,1-2,14H2,3-7H3/t16-,18+,20-,23+,26-/m0/s1
InChIKeyGHYIJWADNLIVDB-UMIISBCRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
ambiguine A (CHEBI:229592) is a ambiguine (CHEBI:141618)
ambiguine A (CHEBI:229592) is a isocyanide (CHEBI:35353)
ambiguine A (CHEBI:229592) is a organic heterotetracyclic compound (CHEBI:38163)
UniProt Name  Source
ambiguine AUniProt
Manual XrefsDatabases
CPD-20775MetaCyc
Citations