CHEBI:131528 - aurachin B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aurachin B
ChEBI ID CHEBI:131528
Definition An A-type aurachin that is quinoline N-oxide which is substituted by a methyl group at position 2, a hydroxy group at position 3, and a triprenyl group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H33NO2
Net Charge 0
Average Mass 379.536
Monoisotopic Mass 379.25113
InChI InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-23-22-14-6-7-15-24(22)26(28)21(5)25(23)27/h6-7,10,12,14-16,27H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+
InChIKey ZNSLRZHNFFXDSE-YEFHWUCQSA-N
SMILES C1=CC2=C(C=C1)[N+](=C(C(=C2C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)O)C)[O-]
Metabolite of Species Details
Stigmatella aurantiaca Sg a15 (NCBI:txid675526) of strain Sg a15 See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aurachin B (CHEBI:131528) has role bacterial metabolite (CHEBI:76969)
aurachin B (CHEBI:131528) is a A-type aurachin (CHEBI:90917)
aurachin B (CHEBI:131528) is a heteroaryl hydroxy compound (CHEBI:74818)
aurachin B (CHEBI:131528) is a olefinic compound (CHEBI:78840)
aurachin B (CHEBI:131528) is a quinoline N-oxide (CHEBI:26508)
aurachin B (CHEBI:131528) is conjugate acid of aurachin B(1−) (CHEBI:90784)
Incoming aurachin B(1−) (CHEBI:90784) is conjugate base of aurachin B (CHEBI:131528)
IUPAC Name
2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1λ5-quinolin-3-ol
Synonym Source
Aurachin B KNApSAcK
Manual Xrefs Databases
C00017846 KNApSAcK
CPD-15910 MetaCyc
View more database links
Registry Numbers Types Sources
108354-12-7 CAS Registry Number ChemIDplus
108354-12-7 CAS Registry Number KNApSAcK
Citations Waiting for Citations Types Sources
21979787 PubMed citation Europe PMC
22907798 PubMed citation Europe PMC
25209961 PubMed citation Europe PMC
3106289 PubMed citation Europe PMC
Last Modified
21 August 2023