CHEBI:216457 - Marmycin 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 Marmycin A
ChEBI ID CHEBI:216457
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H23NO4
Net Charge 0
Average Mass 413.473
Monoisotopic Mass 413.16271
InChI InChI=1S/C26H23NO4/c1-12-4-6-15-14(10-12)5-7-17-20(15)23(28)18-9-8-16-19-11-26(3,25(30)13(2)31-19)27-22(16)21(18)24(17)29/h4-10,13,19,25,27,30H,11H2,1-3H3/t13-,19-,25-,26+/m1/s1
InChIKey DIIFOOCBJPITQV-IKTXJVIUSA-N
SMILES O=C1C2=C3N[C@@]4([C@H](O)[C@@H](C)O[C@@H](C3=CC=C2C(=O)C5=C1C=CC=6C5=CC=C(C6)C)C4)C
Metabolite of Species Details
Streptomycesspecies (NCBI:txid1931) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via angucycline )
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ChEBI Ontology
Outgoing Marmycin A (CHEBI:216457) is a angucycline (CHEBI:48130)
IUPAC Name
(1R,21S,22S,23R)-22-hydroxy-11,21,23-trimethyl-24-oxa-20-azahexacyclo[19.3.1.02,19.05,18.07,16.08,13]pentacosa-2(19),3,5(18),7(16),8(13),9,11,14-octaene-6,17-dione
Manual Xref Database
23076530 ChemSpider
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