CHEBI:210666 - Woodybactin C

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Woodybactin C
ChEBI ID CHEBI:210666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H36N2O10
Net Charge 0
Average Mass 476.523
Monoisotopic Mass 476.23700
InChI InChI=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
InChIKey SKYVMRWYWWVZMN-ZDGMYTEDSA-N
SMILES O=C(O)C(O)(CC(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)CCCCCCCC
Metabolite of Species Details
Shewanella (NCBI:txid22) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
79715318 ChemSpider
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