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CHEBI:210662 - Woodybactin B

ChEBI IDCHEBI:210662
ChEBI NameWoodybactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36N2O10
Net Charge0
Average Mass476.523
Monoisotopic Mass476.23700
SMILESCC(C)CCCCCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C21H36N2O10/c1-14(2)8-4-3-5-10-17(25)23(33)11-7-6-9-15(19(28)29)22-16(24)12-21(32,20(30)31)13-18(26)27/h14-15,32-33H,3-13H2,1-2H3,(H,22,24)(H,26,27)(H,28,29)(H,30,31)/t15-,21?/m0/s1
InChIKeySZXMZOUTLSMZRZ-ZDGMYTEDSA-N
Species of MetaboliteComponentSourceComments
Shewanella (ncbitaxon:22) - PubMed (31203087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Woodybactin B (CHEBI:210662) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
2-[2-[[(1S)-1-carboxy-5-[hydroxy(7-methyloctanoyl)amino]pentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Manual XrefsDatabases
79715317ChemSpider