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CHEBI:215133 - Ornibactin C8

ChEBI IDCHEBI:215133
ChEBI NameOrnibactin C8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H56N8O13
Net Charge0
Average Mass736.821
Monoisotopic Mass736.39668
SMILESCCCCCC(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/C30H56N8O13/c1-2-3-4-9-19(41)16-23(42)38(51)15-7-10-20(32)26(44)36-24(25(43)30(48)49)29(47)35-22(17-39)28(46)34-21(11-8-14-37(50)18-40)27(45)33-13-6-5-12-31/h18-22,24-25,39,41,43,50-51H,2-17,31-32H2,1H3,(H,33,45)(H,34,46)(H,35,47)(H,36,44)(H,48,49)
InChIKeyNJIOFEXYZOVVKA-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 C8 (CHEBI:215133) 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-hydroxyoctanoyl)amino]pentanoyl]amino]-2-hydroxy-4-oxobutanoic acid
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78444861ChemSpider