EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:210666 - Woodybactin C

ChEBI IDCHEBI:210666
ChEBI NameWoodybactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36N2O10
Net Charge0
Average Mass476.523
Monoisotopic Mass476.23700
SMILESCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C21H36N2O10/c1-2-3-4-5-6-7-11-17(25)23(33)12-9-8-10-15(19(28)29)22-16(24)13-21(32,20(30)31)14-18(26)27/h15,32-33H,2-14H2,1H3,(H,22,24)(H,26,27)(H,28,29)(H,30,31)/t15-,21?/m0/s1
InChIKeySKYVMRWYWWVZMN-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 C (CHEBI:210666) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
2-[2-[[(1S)-1-carboxy-5-[hydroxy(nonanoyl)amino]pentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Manual XrefsDatabases
79715318ChemSpider