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CHEBI:222950 - Awamycin

ChEBI IDCHEBI:222950
ChEBI NameAwamycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H49NO12S
Net Charge0
Average Mass743.872
Monoisotopic Mass743.29755
SMILESCOC(=O)C1C(O)C(C)C(O)C(C)/C=C(/C)C(=O)c2c(OC)c(C)c(O)c3c2C(=O)C(SC)=C(NC(=O)/C(C)=C\C=C\C(C)C(O)C(C)C1O)C3=O
InChIInChI=1S/C38H49NO12S/c1-15-12-11-13-16(2)37(48)39-26-33(46)23-22(34(47)36(26)52-10)24(35(50-8)21(7)32(23)45)29(42)18(4)14-17(3)28(41)20(6)31(44)25(38(49)51-9)30(43)19(5)27(15)40/h11-15,17,19-20,25,27-28,30-31,40-41,43-45H,1-10H3,(H,39,48)/b12-11+,16-13-,18-14-
InChIKeyWZCNXFSCUFEMGW-UMLOSGLNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6688804)
ChEBI Ontology
Outgoing Relation(s)
Awamycin (CHEBI:222950) is a azamacrocycle (CHEBI:52898)
Awamycin (CHEBI:222950) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
methyl (7Z,18E,20Z)-2,10,12,14,16-pentahydroxy-4-methoxy-3,7,9,11,15,17,21-heptamethyl-25-methylsulanyl-6,22,26,28-tetraoxo-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-13-carboxylate
Manual XrefsDatabases
4945362ChemSpider