EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61375 - ferric-vibriobactin

ChEBI IDCHEBI:61375
ChEBI Nameferric-vibriobactin
Stars
DefinitionAn iron coordination entity consisting of iron(III) coordinated to each of the hydroxy oxygens in the three catecholate units of vibriobactin.
Last Modified10 February 2015
Submitterhdrabkin
DownloadsMolfile
FormulaC35H33FeN5O11
Net Charge-3
Average Mass755.518
Monoisotopic Mass755.15424
SMILES[H][C@@]12N=C(O[C@H]1C)c1cccc3c1[O-][Fe+3]145([O-]c6cccc(c6[O-]1)C(=O)NCCCN(CCCNC2=O)C(=O)[C@@]1([H])N=C(O[C@@H]1C)c1cccc(c1[O-]4)[O-]5)[O-]3
InChIInChI=1S/C35H39N5O11.Fe/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46;/h3-5,8-13,18-19,26-27,41-46H,6-7,14-17H2,1-2H3,(H,36,47)(H,37,48);/q;+3/p-6/t18-,19+,26+,27-;/m0./s1
InChIKeyXCZXQZJLNMPXIV-VBIAIPROSA-H
ChEBI Ontology
Outgoing Relation(s)
ferric-vibriobactin (CHEBI:61375) has functional parent vibriobactin (CHEBI:9973)
ferric-vibriobactin (CHEBI:61375) is a Fe(III)-complexed siderophore (CHEBI:84734)
IUPAC Name 
[(4S,5R)-N-(3-{[2,3-di(hydroxy-κO)benzoyl]amino}propyl)-2-[2,3-di(hydroxy-κO)phenyl]-N-{3-[({(4R,5S)-2-[2,3-di(hydroxy-κO)phenyl]-5-methyl-4,5-dihydro-1,3-oxazol-4-yl}carbonyl)amino]propyl}-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamidato(6−)]ferrate(3−)
Synonyms  Source
ferrivibriobactinSUBMITTER
fe-vibriobactinSUBMITTER
ferric vibriobactinChEBI