CHEBI:229592 - ambiguine A

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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 ambiguine A
ChEBI ID CHEBI:229592
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C26H31ClN2
Net Charge 0
Average Mass 407.000
Monoisotopic Mass 406.21758
InChI InChI=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
InChIKey GHYIJWADNLIVDB-UMIISBCRSA-N
SMILES C12=CC=CC3=C1C([C@@]4([C@](C2(C)C)([H])C[C@H]([C@]([C@@H]4[N+]#[C-])(C)C=C)Cl)[H])=C(N3)C(C)(C)C=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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)
Synonym Source
ambiguine A UniProt
Manual Xref Database
CPD-20775 MetaCyc accession
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Citation Waiting for Citations Type Source
24180436 PubMed citation SUBMITTER