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CHEBI:199869 - Ornibactin C6

ChEBI IDCHEBI:199869
ChEBI NameOrnibactin C6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H52N8O13
Net Charge0
Average Mass708.767
Monoisotopic Mass708.36538
SMILESCCCC(O)CC(=O)N(O)CCCC(N)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCCN(O)C=O)C(=O)NCCCCN)C(O)C(=O)O
InChIInChI=1S/C28H52N8O13/c1-2-7-17(39)14-21(40)36(49)13-5-8-18(30)24(42)34-22(23(41)28(46)47)27(45)33-20(15-37)26(44)32-19(9-6-12-35(48)16-38)25(43)31-11-4-3-10-29/h16-20,22-23,37,39,41,48-49H,2-15,29-30H2,1H3,(H,31,43)(H,32,44)(H,33,45)(H,34,42)(H,46,47)
InChIKeyZQCAUNGVEIYRKP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas (ncbitaxon:286) - PubMed (25855820)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ornibactin C6 (CHEBI:199869) is a oligopeptide (CHEBI:25676)
IUPAC Name 
4-[[1-[[1-(4-aminobutylamino)-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-[[2-amino-5-[hydroxy(3-hydroxyhexanoyl)amino]pentanoyl]amino]-2-hydroxy-4-oxobutanoic acid
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78444769ChemSpider