CHEBI:210656 - Woodybactin A

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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 A
ChEBI ID CHEBI:210656
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H34N2O10
Net Charge 0
Average Mass 462.496
Monoisotopic Mass 462.22135
InChI InChI=1S/C20H34N2O10/c1-2-3-4-5-6-10-16(24)22(32)11-8-7-9-14(18(27)28)21-15(23)12-20(31,19(29)30)13-17(25)26/h14,31-32H,2-13H2,1H3,(H,21,23)(H,25,26)(H,27,28)(H,29,30)/t14-,20?/m0/s1
InChIKey DHUKDCFKLDMWTQ-PVCZSOGJSA-N
SMILES O=C(O)C(O)(CC(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)CCCCCCC
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 A (CHEBI:210656) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
2-[2-[[(1S)-1-carboxy-5-[hydroxy(octanoyl)amino]pentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Manual Xref Database
79715316 ChemSpider
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