CHEBI:210673 - Woodybactin D

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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 D
ChEBI ID CHEBI:210673
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H38N2O10
Net Charge 0
Average Mass 490.550
Monoisotopic Mass 490.25265
InChI InChI=1S/C22H38N2O10/c1-2-3-4-5-6-7-8-12-18(26)24(34)13-10-9-11-16(20(29)30)23-17(25)14-22(33,21(31)32)15-19(27)28/h16,33-34H,2-15H2,1H3,(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t16-,22?/m0/s1
InChIKey DHBJJAQLTGBEDQ-CISYCMJJSA-N
SMILES O=C(O)C(O)(CC(=O)O)CC(=O)N[C@H](C(=O)O)CCCCN(O)C(=O)CCCCCCCCC
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 D (CHEBI:210673) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name
2-[2-[[(1S)-1-carboxy-5-[decanoyl(hydroxy)amino]pentyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
Manual Xref Database
79715319 ChemSpider
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