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CHEBI:213148 - Bacillibactin C

ChEBI IDCHEBI:213148
ChEBI NameBacillibactin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30N4O13
Net Charge0
Average Mass606.541
Monoisotopic Mass606.18094
SMILESC[C@@H](O)[C@H](NC(=O)CNC(=O)c1cccc(O)c1O)C(=O)O[C@H](C)[C@H](NC(=O)CNC(=O)c1cccc(O)c1O)C(=O)O
InChIInChI=1S/C26H30N4O13/c1-11(31)19(29-17(34)9-27-23(38)13-5-3-7-15(32)21(13)36)26(42)43-12(2)20(25(40)41)30-18(35)10-28-24(39)14-6-4-8-16(33)22(14)37/h3-8,11-12,19-20,31-33,36-37H,9-10H2,1-2H3,(H,27,38)(H,28,39)(H,29,34)(H,30,35)(H,40,41)/t11-,12-,19+,20+/m1/s1
InChIKeyPBBQVMAFTMEVMY-ZDEMKHDWSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (29320403)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bacillibactin C (CHEBI:213148) is a depsipeptide (CHEBI:23643)
IUPAC Name 
(2S,3R)-2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-3-[(2S,3R)-2-[[2-[(2,3-dihydroxybenzoyl)amino]acetyl]amino]-3-hydroxybutanoyl]oxybutanoic acid
Manual XrefsDatabases
78439248ChemSpider