EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49732 - DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162

Default Structure
ChEBI IDCHEBI:49732
ChEBI NameDOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162
Stars
DownloadsMolfile
FormulaC37H65N7O16
Net Charge0
Average Mass863.960
Monoisotopic Mass863.44878
SMILES[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])[C@]([H])(O[C@@]3([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])N([H])[H])[C@@]([H])(N([H])[H])C([H])([H])[C@@]([H])(N([H])C(=O)[C@@]([H])(O[H])C([H])([H])C([H])([H])N([H])[H])[C@]2([H])O[H])[C@]([H])(OC([H])([H])C([H])([H])N([H])C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])[C@]1([H])O[C@@]1([H])O[C@@]([H])(C([H])([H])N([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])N([H])[H]
InChIInChI=1S/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18+,19-,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32+,33+,35+,36+,37-/m0/s1
InChIKeyKITFYJSEQIOMTC-AFTVZRPJSA-N
ChEBI Ontology
Outgoing Relation(s)
DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162 (CHEBI:49732) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2-amino-2-deoxy-alpha-D-glucopyranosyl)oxy]-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-2-O-{2-[(2-phenylethyl)amino]ethyl}-beta-D-ribofuranosyl]oxy}-2-hydroxycyclohexyl]-2-hydroxybutanamidePDBeChem
DOUBLY FUNCTIONALIZED PAROMOMYCIN PM-II-162PDBeChem
Manual XrefsDatabases
LHAPDBeChem