CHEBI:70403 - citrinalin A

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ChEBI Name citrinalin A
ChEBI ID CHEBI:70403
Definition A natural product found in Penicillium citrinum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C25H32N3O5
Net Charge +1
Average Mass 454.53870
Monoisotopic Mass 454.23365
InChI InChI=1S/C25H31N3O5/c1-22(2)11-16(29)19-17(33-22)8-7-15-20(19)26-21(30)25(15)12-24(28(31)32)13-27-9-5-6-14(27)10-18(24)23(25,3)4/h7-8,14,18H,5-6,9-13H2,1-4H3,(H,26,30)/p+1/t14-,18+,24+,25-/m0/s1
InChIKey QVBARITWSQCBBV-DTKOROOESA-O
SMILES [H][C@@]12CCC[NH+]1C[C@@]1(C[C@]3(C(=O)Nc4c5C(=O)CC(C)(C)Oc5ccc34)C(C)(C)[C@@]1([H])C2)[N+]([O-])=O
Metabolite of Species Details
Penicillium citrinum (NCBI:txid5077) Penicillium species isolated from a seaweed caulerpa sp. of strain F53 See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing citrinalin A (CHEBI:70403) has functional parent δ-amino acid (CHEBI:35931)
citrinalin A (CHEBI:70403) has role metabolite (CHEBI:25212)
citrinalin A (CHEBI:70403) is a organonitrogen compound (CHEBI:35352)
citrinalin A (CHEBI:70403) is a organooxygen compound (CHEBI:36963)
Citation Waiting for Citations Type Source
21053938 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:1-benzopyran(CHEBI:38443); ISA:chromones(CHEBI:23238); ISA:indoles(CHEBI:24828); ISA:indolizines(CHEBI:38485); ISA:aromatic ketone(CHEBI:76224); ISA:aminopiperidine(CHEBI:48588); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:benzenoid aromatic compound(CHEBI:33836); ISA:N-alkylpyrrolidine(CHEBI:46775); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:quaternary ammonium salt(CHEBI:35273); ISA:enamine(CHEBI:47989); ISA:organic hydroxy compound(CHEBI:33822); ISA:organic acid(CHEBI:64709); ISA:carboxamide(CHEBI:37622); ISA:nitro compound(CHEBI:35715); ISA:lactam(CHEBI:24995); ISA:nitrogen molecular entity(CHEBI:51143); ISA:organooxygen compound(CHEBI:36963); ISA:carboxylic acid(CHEBI:33575); ISA:organic salt(CHEBI:24868); ISA:organic cation(CHEBI:25697);