CHEBI:207985 - Kitamycin 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 Kitamycin A
ChEBI ID CHEBI:207985
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H32N2O8
Net Charge 0
Average Mass 464.515
Monoisotopic Mass 464.21587
InChI InChI=1S/C23H32N2O8/c1-4-5-6-7-9-16-19(27)14(3)33-23(31)18(13(2)32-22(16)30)25-21(29)15-10-8-11-17(20(15)28)24-12-26/h8,10-14,16,18-19,27-28H,4-7,9H2,1-3H3,(H,24,26)(H,25,29)/t13-,14+,16-,18+,19+/m1/s1
InChIKey GTUQGSSCDLWNEE-KZYWPTACSA-N
SMILES O=C1O[C@H]([C@H](O)[C@@H](CCCCCC)C(O[C@@H]([C@@H]1NC(=O)C2=C(O)C(NC=O)=CC=C2)C)=O)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Kitamycin A (CHEBI:207985) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name
3-ormamido-N-[(2R,3S,6S,7R,8R)-8-hexyl-7-hydroxy-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-3-yl]-2-hydroxybenzamide
Manual Xref Database
8044741 ChemSpider
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