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CHEBI:199243 - Baumannoferrin B

ChEBI IDCHEBI:199243
ChEBI NameBaumannoferrin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H44N4O12
Net Charge0
Average Mass616.665
Monoisotopic Mass616.29557
SMILESCCCCCCCCCC(=O)N(O)CCCNC(=O)C(CC(=O)NCCC(C(=O)O)N1C(=O)CCC1(O)C(=O)O)C(=O)O
InChIInChI=1S/C27H44N4O12/c1-2-3-4-5-6-7-8-10-21(33)30(43)16-9-14-29-23(35)18(24(36)37)17-20(32)28-15-12-19(25(38)39)31-22(34)11-13-27(31,42)26(40)41/h18-19,42-43H,2-17H2,1H3,(H,28,32)(H,29,35)(H,36,37)(H,38,39)(H,40,41)
InChIKeyUKCQMIFZQBMVKR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Acinetobacter baumannii (ncbitaxon:470) - PubMed (26235845)
ChEBI Ontology
Outgoing Relation(s)
Baumannoferrin B (CHEBI:199243) has functional parent α-amino acid (CHEBI:33704)
Baumannoferrin B (CHEBI:199243) is a organonitrogen compound (CHEBI:35352)
Baumannoferrin B (CHEBI:199243) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
1-[1-carboxy-3-[[3-carboxy-4-[3-[decanoyl(hydroxy)amino]propylamino]-4-oxobutanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
Manual XrefsDatabases
78444538ChemSpider