CHEBI:230084 - Mepartricin 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 Mepartricin A
ChEBI ID CHEBI:230084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C60H88N2O19
Net Charge 0
Average Mass 1141.359
Monoisotopic Mass 1140.59813
InChI InChI=1S/C60H88N2O19/c1-36-18-16-14-12-10-8-6-7-9-11-13-15-17-19-48(79-59-56(74)54(61)55(73)38(3)78-59)33-51-53(58(75)77-5)50(71)35-60(76,81-51)34-47(69)30-45(67)28-43(65)26-42(64)27-44(66)29-46(68)32-52(72)80-57(36)37(2)20-25-41(63)31-49(70)39-21-23-40(62-4)24-22-39/h6-19,21-24,36-38,41-43,45-48,50-51,53-57,59,62-65,67-69,71,73-74,76H,20,25-35,61H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t36?,37?,38-,41?,42?,43?,45?,46?,47?,48?,50?,51?,53?,54+,55-,56+,57?,59+,60?/m0/s1
InChIKey GVEVTKSEPQUIJA-BXMMMMRLSA-N
SMILES O1C2(O)CC(O)C(C1CC(O[C@H]3O[C@H]([C@H](O)[C@@H](N)[C@H]3O)C)C=CC=CC=CC=CC=CC=CC=CC(C(OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)C2)C(CCC(O)CC(=O)C4=CC=C(NC)C=C4)C)C)C(OC)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Mepartricin A (CHEBI:230084) is a aminoglycoside (CHEBI:47779)
IUPAC Name
methyl (19E,21E,23E,25E,27E,29E,31E)-33-[(2S,3R,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,7,9,13,37-heptahydroxy-17-[5-hydroxy-7-[4-(methylamino)phenyl]-7-oxoheptan-2-yl]-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Manual Xref Database
34989315 ChemSpider
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