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CHEBI:45319 - RESPINOMYCIN D

Default Structure
ChEBI IDCHEBI:45319
ChEBI NameRESPINOMYCIN D
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC51H75N2O22
Net Charge+1
Average Mass1068.153
Monoisotopic Mass1067.48060
SMILES[H]O[C@@]1([H])C2=C(C(=O)[C@]3([H])C([H])=C([H])[C@@]4([H])C(=C3C2=O)O[C@]2([H])O[C@@]4(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]4([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@](O[H])(C([H])([H])[H])[C@@]4([H])OC([H])([H])[H])[C@]([N+](=O)[O-])(C([H])([H])[H])C3([H])[H])[C@@]([H])([N+]([H])(C([H])([H])[H])C([H])([H])[H])[C@]2([H])O[H])C([H])([H])C2=C1[C@@]([H])(O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@](O[H])(C([H])([H])[H])[C@@]1([H])OC([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@](O[H])(C([H])([H])[H])C2([H])[H]
InChIInChI=1S/C51H74N2O22/c1-19-37(58)49(6,61)42(66-12)45(69-19)73-36-27-22(17-48(5,60)41(36)65-11)16-24-28(32(27)55)33(56)29-23(31(24)54)14-15-25-35(29)72-44-34(57)30(52(9)10)40(51(25,8)75-44)71-26-18-47(4,53(63)64)39(21(3)68-26)74-46-43(67-13)50(7,62)38(59)20(2)70-46/h14-15,19-21,23,25-26,30,32,34,36-46,55,57-62H,16-18H2,1-13H3/p+1/t19-,20-,21+,23+,25-,26-,30-,32+,34-,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46-,47-,48-,49+,50+,51+/m0/s1
InChIKeyFSWSNADWNSVMLC-CABLNRLVSA-O
ChEBI Ontology
Outgoing Relation(s)
RESPINOMYCIN D (CHEBI:45319) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3S,4S,5S,6R,6aS,8aR,12S,13S,14R,15R)-14-[(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)oxy]-3,12,15-trihydroxy-13-methoxy-N,N,6,12-tetramethyl-9,16-dioxo-5-{[2,3,6-trideoxy-4-O-(6-deoxy-3-C-methyl-2-O-methyl-alpha-L-mannopyranosyl)-3-methyl-3-nitro-beta-D-ribo-hexopyranosyl]oxy}-3,4,5,6,6a,8a,9,10,11,12,13,14,15,16-tetradecahydro-2H-2,6-epoxytetraceno[1,2-b]oxocin-4-aminiumPDBeChem
RESPINOMYCIN DPDBeChem
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