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CHEBI:40621 - 10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)

Default Structure
ChEBI IDCHEBI:40621
ChEBI Name10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC40H51NO13
Net Charge0
Average Mass753.842
Monoisotopic Mass753.33604
SMILES[H]Oc1c([H])c([H])c([H])c2c1C(=O)c1c(O[H])c3c(c([H])c1C2=O)C([H])([H])[C@@](O[H])(C([H])([H])C([H])([H])[H])C([H])([H])[C@]3([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@@]2([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])[H])C(=O)C([H])([H])C3([H])[H])[C@@]([H])(O[H])C2([H])[H])[C@@]([H])(N(C([H])([H])[H])C([H])([H])[H])C1([H])[H]
InChIInChI=1S/C40H51NO13/c1-7-40(48)16-21-13-23-34(37(47)33-22(35(23)45)9-8-10-26(33)43)36(46)32(21)28(17-40)52-30-14-24(41(5)6)38(19(3)50-30)54-31-15-27(44)39(20(4)51-31)53-29-12-11-25(42)18(2)49-29/h8-10,13,18-20,24,27-31,38-39,43-44,46,48H,7,11-12,14-17H2,1-6H3/t18-,19+,20+,24+,27+,28+,29+,30+,31-,38-,39+,40+/m1/s1
InChIKeyOXPCRXLITLBLEY-ZVNFQBCFSA-N
ChEBI Ontology
Outgoing Relation(s)
10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA) (CHEBI:40621) is a unclassifieds (CHEBI:27189)
Synonyms  Source
10-DECARBOXYMETHYLACLACINOMYCIN A (DCMAA)PDBeChem
(1S,3S)-3-ethyl-3,10,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6R)-6-methyl-5-oxotetrahydro-2H-pyran-2-yl]-beta-L-arabino-hexopyranosyl}-3-(dimethylamino)-alpha-L-lyxo-hexopyranosidePDBeChem
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