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CHEBI:222330 - Heterobactin B

ChEBI IDCHEBI:222330
ChEBI NameHeterobactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N5O7
Net Charge0
Average Mass437.453
Monoisotopic Mass437.19105
SMILESN[C@H](CCCNC(=O)c1cccc(O)c1O)C(=O)NCC(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C19H27N5O7/c20-12(5-2-8-21-17(28)11-4-1-7-14(25)16(11)27)18(29)22-10-15(26)23-13-6-3-9-24(31)19(13)30/h1,4,7,12-13,25,27,31H,2-3,5-6,8-10,20H2,(H,21,28)(H,22,29)(H,23,26)/t12-,13+/m1/s1
InChIKeyKZSYVXPBQDRSRR-OLZOCXBDSA-N
Species of MetaboliteComponentSourceComments
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 B (CHEBI:222330) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[(4R)-4-amino-5-[[2-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]-2,3-dihydroxybenzamide