CHEBI:66728 - Pelagiomicin A

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ChEBI Name Pelagiomicin A
ChEBI ID CHEBI:66728
Definition A natural product found in Pelagiobacter variabilis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21N3O6
Net Charge 0
Average Mass 399.39720
Monoisotopic Mass 399.14304
InChI InChI=1S/C20H21N3O6/c1-20(2,27)17(21)19(26)29-9-10-7-8-13(28-3)16-14(10)22-12-6-4-5-11(18(24)25)15(12)23-16/h4-8,17,27H,9,21H2,1-3H3,(H,24,25)/t17-/m1/s1
InChIKey SFUOAUKIPVZJLK-QGZVFWFLSA-N
SMILES COc1ccc(COC(=O)[C@@H](N)C(C)(C)O)c2nc3cccc(C(O)=O)c3nc12
Metabolite of Species Details
Pelagiobacter var.abilis (NCBI:txid266805) 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 Pelagiomicin A (CHEBI:66728) has role metabolite (CHEBI:25212)
Pelagiomicin A (CHEBI:66728) is a phenazines (CHEBI:39201)
Synonyms Sources
3-Hydroxy-L-valine (6-carboxy-4-methoxy-1-phenazinyl)methyl ester ChEBI
6-[[(2S)-2-amino-3-hydroxy-3-methylbutanoyl]oxymethyl]-9-methoxyphenazine-1-carboxylic acid ChEBI
Registry Number Type Source
173485-80-8 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
9066759 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:alpha-amino acid ester(CHEBI:46874); ISA:carboxylic ester(CHEBI:33308); HFP:benzyl alcohol(CHEBI:17987); ISA:benzoic acids(CHEBI:22723); ISA:benzyl ether(CHEBI:59859); ISA:carbonyl compound(CHEBI:36586); ISA:methoxybenzene(CHEBI:51683); ISA:fatty acid ester(CHEBI:35748); ISA:aromatic ether(CHEBI:35618); ISA:3-hydroxy carboxylic acid(CHEBI:61355); ISA:pyrazines(CHEBI:38314); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary alcohol(CHEBI:26878); ISA:organonitrogen compound(CHEBI:35352); ISA:carboxylic acid(CHEBI:33575); ISA:alkylamine(CHEBI:13759);