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CHEBI:230076 - Mepartricin B

ChEBI IDCHEBI:230076
ChEBI NameMepartricin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC59H86N2O19
Net Charge0
Average Mass1127.332
Monoisotopic Mass1126.58248
SMILESCOC(=O)C1C(O)CC2(O)CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC(C(C)CCC(O)CC(=O)c3ccc(N)cc3)C(C)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C(O[C@H]3O[C@@H](C)[C@H](O)[C@@H](N)[C@H]3O)CC1O2
InChIInChI=1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(61)54(72)37(3)77-58)32-50-52(57(74)76-4)49(70)34-59(75,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(60)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,62-64,66-68,70,72-73,75H,19,24-34,60-61H2,1-4H3/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t35?,36?,37-,40?,41?,42?,44?,45?,46?,47?,49?,50?,52?,53+,54-,55+,56?,58+,59?/m0/s1
InChIKeyGIDIUOCSTCGLRW-OUXUIHJTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Mepartricin B (CHEBI:230076) 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-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Manual XrefsDatabases
34989316ChemSpider