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CHEBI:44323 - NOGALAMYCIN (PROTONATED FORM)

Default Structure
ChEBI IDCHEBI:44323
ChEBI NameNOGALAMYCIN (PROTONATED FORM)
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC39H52NO16
Net Charge+1
Average Mass790.836
Monoisotopic Mass790.32806
SMILES[H]OC1=C2C(=O)c3c(O[H])c([H])c4c(c3C(=O)[C@@]2([H])C([H])=C2[C@@]([H])(C(=O)OC([H])([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])[C@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@](OC([H])([H])[H])(C([H])([H])[H])[C@@]3([H])OC([H])([H])[H])[C@@]12[H])O[C@]1([H])O[C@@]4(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])([N+]([H])(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[H]
InChIInChI=1S/C39H51NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,16,19-20,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/p+1/t14-,16-,19-,20-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1
InChIKeyNXHOGSUAUGLOER-JRDTZGCNSA-O
ChEBI Ontology
Outgoing Relation(s)
NOGALAMYCIN (PROTONATED FORM) (CHEBI:44323) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S,4R,5R,6R,10aS,11S,13S,14R,15aS)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-3,5,8,10,13-pentahydroxy-14-(methoxycarbonyl)-N,N,6,13-tetramethyl-9,16-dioxo-3,4,5,6,9,10a,11,12,13,14,15a,16-dodecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminiumPDBeChem
NOGALAMYCIN (PROTONATED FORM)PDBeChem
Manual XrefsDatabases
NGPPDBeChem