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CHEBI:156391 - perquinoline A

Default Structure
ChEBI IDCHEBI:156391
ChEBI Nameperquinoline A
Stars
DefinitionA perquinoline that is 8-amino 20-N-butanoic acid.
SubmitterMartin Larralde
DownloadsMolfile
FormulaC24H27N3O7
Net Charge0
Average Mass469.494
Monoisotopic Mass469.18490
SMILESNC1(Cc2ccccc2)c2c(O)cc(O)cc2C(C(=O)NCCCC(=O)O)N2C(=O)CCC21O
InChIInChI=1S/C24H27N3O7/c25-23(13-14-5-2-1-3-6-14)20-16(11-15(28)12-17(20)29)21(22(33)26-10-4-7-19(31)32)27-18(30)8-9-24(23,27)34/h1-3,5-6,11-12,21,28-29,34H,4,7-10,13,25H2,(H,26,33)(H,31,32)
InChIKeyCDFQOHHGTNUFPU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sp. (ncbitaxon:1931) - PubMed (31310031)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
perquinoline A (CHEBI:156391) has functional parent butyric acid (CHEBI:30772)
perquinoline A (CHEBI:156391) is a carboxylic acid (CHEBI:33575)
perquinoline A (CHEBI:156391) is a primary amine (CHEBI:32877)
perquinoline A (CHEBI:156391) is a triol (CHEBI:27136)
Citations