CHEBI:223913 - Oxalomycin B

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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 Oxalomycin B
ChEBI ID CHEBI:223913
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H49N3O9
Net Charge 0
Average Mass 655.789
Monoisotopic Mass 655.34688
InChI InChI=1S/C35H49N3O9/c1-23(15-11-8-9-12-16-26-20-36-22-47-26)29(40)33(4,5)31(42)37-18-14-10-13-17-27(39)24(2)19-28(45-7)35(44)25(3)30(41)38(6)34(35)21-46-32(34)43/h8-15,17,20,22,24-25,27-29,39-40,44H,16,18-19,21H2,1-7H3,(H,37,42)/b11-8+,12-9+,14-10+,17-13+,23-15+
InChIKey ZZNSFVQRQDZGGX-XRDXNDOHSA-N
SMILES O=C1N(C2(C(=O)OC2)C(C1C)(O)C(OC)CC(C(O)/C=C/C=C/CNC(=O)C(C(O)/C(=C/C=C/C=C/CC=3OC=NC3)/C)(C)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Oxalomycin B (CHEBI:223913) has functional parent α-amino acid (CHEBI:33704)
Oxalomycin B (CHEBI:223913) is a organonitrogen compound (CHEBI:35352)
Oxalomycin B (CHEBI:223913) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-(8-hydroxy-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl)-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide
Manual Xref Database
20143674 ChemSpider
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