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CHEBI:230055 - Partricin

ChEBI IDCHEBI:230055
ChEBI NamePartricin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H84N2O19
Net Charge0
Average Mass1113.305
Monoisotopic Mass1112.56683
SMILESCC1C=CC=CC=CC=CC=CC=CC=CC(O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@H]2O)CC2OC(O)(CC(O)CC(O)CC(O)CC(O)CC(=O)CC(O)CC(=O)OC1C(C)CCC(O)CC(=O)c1ccc(N)cc1)CC(O)C2C(=O)O
InChIInChI=1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)/t34?,35?,36-,39?,40?,41?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m0/s1
InChIKeyNVJUPMZQNWDHTL-BGZDCYLNSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Partricin (CHEBI:230055) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
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-carboxylic acid
Manual XrefsDatabases
2341204ChemSpider