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CHEBI:201654 - Virustomycin A

ChEBI IDCHEBI:201654
ChEBI NameVirustomycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC48H71NO14
Net Charge0
Average Mass886.089
Monoisotopic Mass885.48746
SMILESCC=CC1OC(O)(C(C)C(O)C(C)C2OC(=O)C(OC)=CC(C)=CC(C)C(O)C(CC)C(O)C(C)CC(C)=CC=CC2OC)CC(OC(=O)C=CC(=O)NC2=C(O)CCC2=O)C1C
InChIInChI=1S/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)
InChIKeyYIKWIQAIKGWYCF-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Virustomycin A (CHEBI:201654) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
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