CHEBI:202185 - MJ347-81F4-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 MJ347-81F4-B
ChEBI ID CHEBI:202185
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C60H58N14O18S5
Net Charge 0
Average Mass 1423.500
Monoisotopic Mass 1422.26571
InChI InChI=1S/C60H58N14O18S5/c1-21(47(61)77)63-48(78)30-18-96-56(68-30)41-35(76)11-26-40(70-41)29-16-94-54(65-29)28-15-90-58(83)43-27-14-88-44(45(92-36-12-60(5,85)46(62-6)24(4)91-36)59(84)89-13-25-9-8-10-34(37(25)27)74(43)86)42(57-69-31(19-97-57)49(79)64-28)73-51(81)33-20-95-55(67-33)39(23(3)87-7)72-52(82)38(22(2)75)71-50(80)32-17-93-53(26)66-32/h8-11,16-20,22,24,28,36,38,42,44-46,62,75-76,85-86H,1,12-15H2,2-7H3,(H2,61,77)(H,63,78)(H,64,79)(H,71,80)(H,72,82)(H,73,81)/b39-23+
InChIKey RQEPNTVQILZFPS-JRZNSJKLSA-N
SMILES S1C/2=NC(=C1)C(=O)NC3C=4SC=C(N4)C(=O)NC(C=5SC=C(C6=C(C7=NC(C(NC(C(N\C2=C(\OC)/C)=O)C(O)C)=O)=CS7)C=C(O)C(=N6)C=8SC=C(N8)C(=O)NC(C(=O)N)=C)N5)COC(C9=C%10COC3C(OC%11OC(C(NC)C(C%11)(O)C)C)C(=O)OCC%12=C%10C(=CC=C%12)N9O)=O
Metabolite of Species Details
Amycolatopsis (NCBI:txid1813) See: PubMed
ChEBI Ontology
Outgoing MJ347-81F4-B (CHEBI:202185) is a aminoglycoside (CHEBI:47779)
IUPAC Name
N-(3-amino-3-oxoprop-1-en-2-yl)-2-[(21E)-9,52-dihydroxy-30-[4-hydroxy-4,6-dimethyl-5-(methylamino)oxan-2-yl]oxy-18-(1-hydroxyethyl)-21-(1-methoxyethylidene)-16,19,26,31,42,46-hexaoxo-32,43,54-trioxa-3,13,23,49-tetrathia-7,17,20,27,45,51,52,55,56,57-decazadecacyclo[26.16.6.229,40.12,5.112,15.122,25.138,41.147,50.06,11.034,39]heptapentaconta-2(57),4,6,8,10,12(56),14,22(55),24,34(39),35,37,40,47,50-pentadecaen-8-yl]-1,3-thiazole-4-carboxamide
Manual Xref Database
78444003 ChemSpider
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