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CHEBI:200859 - Brasilibactin A

ChEBI IDCHEBI:200859
ChEBI NameBrasilibactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H67N5O10
Net Charge0
Average Mass802.023
Monoisotopic Mass801.48879
SMILESCCCCCCCCCCCCCCCC(OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)[C@H]1COC(c2ccc(O)cc2)=N1)C(C)C(=O)N[C@@H]1CCCCN(O)C1=O
InChIInChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-37(31(2)38(50)43-34-20-17-19-28-47(55)41(34)52)57-42(53)35(21-16-18-27-46(54)30-48)44-39(51)36-29-56-40(45-36)32-23-25-33(49)26-24-32/h23-26,30-31,34-37,49,54-55H,3-22,27-29H2,1-2H3,(H,43,50)(H,44,51)/t31?,34-,35-,36-,37?/m1/s1
InChIKeyGUHXRIXCLRPVPK-JDWUKTJXSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (15787462)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Brasilibactin A (CHEBI:200859) is a peptide (CHEBI:16670)
IUPAC Name 
[1-[[(3R)-1-hydroxy-2-oxoazepan-3-yl]amino]-2-methyl-1-oxooctadecan-3-yl] (2R)-6-[ormyl(hydroxy)amino]-2-[[(4R)-2-(4-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate
Manual XrefsDatabases
78442520ChemSpider