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CHEBI:218996 - Baumannoferrin A

ChEBI IDCHEBI:218996
ChEBI NameBaumannoferrin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H42N4O12
Net Charge0
Average Mass614.649
Monoisotopic Mass614.27992
SMILESCCCCCCC/C=C/C(=O)N(O)CCCNC(=O)C(CC(=O)NCCC(C(=O)O)N1C(=O)CCC1(O)C(=O)O)C(=O)O
InChIInChI=1S/C27H42N4O12/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/h8,10,18-19,42-43H,2-7,9,11-17H2,1H3,(H,28,32)(H,29,35)(H,36,37)(H,38,39)(H,40,41)/b10-8+
InChIKeyQFHOHBPBTWTDHL-CSKARUKUSA-N
Species of MetaboliteComponentSourceComments
Acinetobacter baumannii (ncbitaxon:470) - PubMed (26235845)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Baumannoferrin A (CHEBI:218996) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
1-[1-carboxy-3-[[3-carboxy-4-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-4-oxobutanoyl]amino]propyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid