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CHEBI:43727 - 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN

Default Structure
ChEBI IDCHEBI:43727
ChEBI Name17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC32H48N4O8
Net Charge0
Average Mass616.756
Monoisotopic Mass616.34721
SMILES[H]O[C@@]1([H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C2=C(N([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C(=O)C([H])=C(C2=O)N([H])C(=O)/C(C([H])([H])[H])=C([H])/C([H])=C(/[H])[C@]([H])(OC([H])([H])[H])[C@@]([H])(OC(=O)N([H])[H])/C(C([H])([H])[H])=C(\[H])[C@]1([H])C([H])([H])[H]
InChIInChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
InChIKeyKUFRQPKVAWMTJO-LMZWQJSESA-N
ChEBI Ontology
Outgoing Relation(s)
17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN (CHEBI:43727) is a unclassifieds (CHEBI:27189)
Synonyms  Source
17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCINPDBeChem
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamatePDBeChem
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