CHEBI:230239 - Mepartricin

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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
ChEBI ID CHEBI:230239
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/c1-36-19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-50(79-59-55(74)53(61)54(73)38(3)78-59)57-52(58(75)77-5)49(71)35-60(76,81-57)34-47(69)31-45(67)29-43(65)27-42(64)28-44(66)30-46(68)33-51(72)80-56(36)37(2)21-26-41(63)32-48(70)39-22-24-40(62-4)25-23-39/h6-19,22-25,36-38,41-43,45-47,49-50,52-57,59,62-65,67-69,71,73-74,76H,20-21,26-35,61H2,1-5H3/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t36?,37?,38-,41?,42?,43?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,57?,59?,60?/m1/s1
InChIKey GTBKZCQTNWWEIB-ULBQUDGQSA-N
SMILES O1C2C(C(O)CC1(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(OC(C(CCC(O)CC(=O)C3=CC=C(NC)C=C3)C)C(C)C=CC=CC=CC=CC=CC=CC=CCC2OC4O[C@@H]([C@@H](O)[C@H](N)[C@@H]4O)C)=O)C(OC)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Mepartricin (CHEBI:230239) is a aminoglycoside (CHEBI:47779)
IUPAC Name
methyl (19E,21E,23Z,25Z,27E,29E,31E)-34-[(3S,4S,5S,6R)-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