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CHEBI:66728 - Pelagiomicin A

Default Structure
ChEBI IDCHEBI:66728
ChEBI NamePelagiomicin A
Stars
DefinitionA natural product found in Pelagiobacter variabilis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC20H21N3O6
Net Charge0
Average Mass399.403
Monoisotopic Mass399.14304
SMILESCOc1ccc(COC(=O)[C@@H](N)C(C)(C)O)c2nc3cccc(C(=O)O)c3nc12
InChIInChI=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
InChIKeySFUOAUKIPVZJLK-QGZVFWFLSA-N
Species of MetaboliteComponentSourceComments
Pelagiobacter variabilis (ncbitaxon:266805) - PubMed (9066759)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Pelagiomicin A (CHEBI:66728) has role metabolite (CHEBI:25212)
Pelagiomicin A (CHEBI:66728) is a phenazines (CHEBI:39201)
Synonyms  Source
3-Hydroxy-L-valine (6-carboxy-4-methoxy-1-phenazinyl)methyl esterChEBI
6-[[(2S)-2-amino-3-hydroxy-3-methylbutanoyl]oxymethyl]-9-methoxyphenazine-1-carboxylic acidChEBI
Registry NumbersSources
CAS:173485-80-8ChemIDplus
Citations