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CHEBI:200535 - Heterobactin A

ChEBI IDCHEBI:200535
ChEBI NameHeterobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H33N7O10
Net Charge0
Average Mass615.600
Monoisotopic Mass615.22889
SMILESNC(=NCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O)NC(=O)c1cccc(O)c1O
InChIInChI=1S/C27H33N7O10/c28-27(33-24(41)15-6-2-10-19(36)22(15)39)29-11-3-7-16(32-23(40)14-5-1-9-18(35)21(14)38)25(42)30-13-20(37)31-17-8-4-12-34(44)26(17)43/h1-2,5-6,9-10,16-17,35-36,38-39,44H,3-4,7-8,11-13H2,(H,30,42)(H,31,37)(H,32,40)(H3,28,29,33,41)/t16-,17+/m1/s1
InChIKeySDUJQEWEVFATFH-SJORKVTESA-N
Species of MetaboliteComponentSourceComments
Rhodococcus erythropolis (ncbitaxon:1833) - PubMed (24274668)
Rhodococcus (ncbitaxon:1827) - PubMed (11508844)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Heterobactin A (CHEBI:200535) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[(2R)-5-[[amino-[(2,3-dihydroxybenzoyl)amino]methylidene]amino]-1-[[2-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]-2,3-dihydroxybenzamide
Manual XrefsDatabases
30900652ChemSpider