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CHEBI:204138 - Asterobactin B

ChEBI IDCHEBI:204138
ChEBI NameAsterobactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H57N7O13
Net Charge0
Average Mass783.877
Monoisotopic Mass783.40143
SMILESCCCCCCCCCC(OC(=O)C(CCCN(O)C=O)NC(=O)C(O)COC(=O)c1ccccc1O)C(C)C(=O)NC(CCCN(O)C(=N)N)C(=O)NO
InChIInChI=1S/C35H57N7O13/c1-3-4-5-6-7-8-9-18-29(23(2)30(46)38-25(31(47)40-51)15-13-20-42(53)35(36)37)55-34(50)26(16-12-19-41(52)22-43)39-32(48)28(45)21-54-33(49)24-14-10-11-17-27(24)44/h10-11,14,17,22-23,25-26,28-29,44-45,51-53H,3-9,12-13,15-16,18-21H2,1-2H3,(H3,36,37)(H,38,46)(H,39,48)(H,40,47)
InChIKeyHQVYJMIMXNUBLA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nocardia asteroides (ncbitaxon:1824) - PubMed (12195966)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asterobactin B (CHEBI:204138) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxododecan-3-yl]oxy-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate
Manual XrefsDatabases
78444798ChemSpider