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CHEBI:218778 - Ochrobactin C

ChEBI IDCHEBI:218778
ChEBI NameOchrobactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H64N4O13
Net Charge0
Average Mass784.945
Monoisotopic Mass784.44699
SMILESCCCCCCC/C=C/C(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(=O)/C=C/CCCCCCC)C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C38H64N4O13/c1-3-5-7-9-11-13-15-23-33(45)41(54)25-19-17-21-29(35(47)48)39-31(43)27-38(53,37(51)52)28-32(44)40-30(36(49)50)22-18-20-26-42(55)34(46)24-16-14-12-10-8-6-4-2/h15-16,23-24,29-30,53-55H,3-14,17-22,25-28H2,1-2H3,(H,39,43)(H,40,44)(H,47,48)(H,49,50)(H,51,52)/b23-15+,24-16+/t29-,30-/m0/s1
InChIKeySRZOJZLJGIZIGR-FMUJFSSXSA-N
Species of MetaboliteComponentSourceComments
Ochrobactrumspecies SP18 (ncbitaxon:223963) - PubMed (16791646)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Ochrobactin C (CHEBI:218778) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
4-[[(1S)-1-carboxy-5-[[(E)-dec-2-enoyl]-hydroxyamino]pentyl]amino]-2-[2-[[(1S)-1-carboxy-5-[[(E)-dec-2-enoyl]-hydroxyamino]pentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid