CHEBI:32279 - urdamycin A

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ChEBI Name urdamycin A
ChEBI ID CHEBI:32279
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H56O17
Net Charge 0
Average Mass 844.89454
Monoisotopic Mass 844.35175
InChI InChI=1S/C43H56O17/c1-18-25(44)8-10-32(55-18)60-43-30(46)16-41(5,52)17-42(43,53)13-12-24-35(43)40(51)23-7-6-22(38(49)34(23)39(24)50)28-15-29(37(48)21(4)54-28)59-31-11-9-27(19(2)56-31)58-33-14-26(45)36(47)20(3)57-33/h6-7,12-13,18-21,25-29,31-33,36-37,44-45,47-49,52-53H,8-11,14-17H2,1-5H3/t18-,19-,20+,21+,25-,26+,27-,28+,29+,31-,32-,33-,36+,37+,41-,42-,43-/m0/s1
InChIKey FJSYXNOFZQFOAN-FXPMUEKOSA-N
SMILES C[C@@H]1O[C@H](CC[C@@H]1O)O[C@]12C(=O)C[C@](C)(O)C[C@@]1(O)C=CC1=C2C(=O)c2ccc([C@H]3C[C@@H](O[C@H]4CC[C@H](O[C@H]5C[C@@H](O)[C@H](O)[C@@H](C)O5)[C@H](C)O4)[C@H](O)[C@@H](C)O3)c(O)c2C1=O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via angucycline antibiotic )
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via angucycline )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing urdamycin A (CHEBI:32279) has role antineoplastic agent (CHEBI:35610)
urdamycin A (CHEBI:32279) is a angucycline antibiotic (CHEBI:70737)
IUPAC Name
(1R)-1,5-anhydro-2,6-dideoxy-3-O-{(2S,5S,6S)-5-[(2,6-dideoxy-β-D-arabino-hexopyranosyl)oxy]-6-methyltetrahydro-2H-pyran-2-yl}-1-[(3R,4aR,12bS)-3,4a,8-trihydroxy-12b-{[(2S,5S,6S)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3-methyl-1,7,12-trioxo-1,2,3,4,4a,7,12,12b-octahydrobenzo[a]anthracen-9-yl]-D-arabino-hexitol
Synonyms Sources
Kerriamycin B ChemIDplus
Urdamycin A KEGG COMPOUND
Manual Xrefs Databases
C00017825 KNApSAcK
C12413 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3584862 Beilstein Registry Number Beilstein
98474-21-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10658661 PubMed citation Europe PMC
12512084 PubMed citation Europe PMC
2925521 PubMed citation Europe PMC
7592377 PubMed citation Europe PMC
Last Modified
28 July 2014