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retaspimycin hydrochloride

PropertiesImageOccurences in reactions
MNX_IDMNXM160828Image of MNXM160828
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC31H46ClN3O8
charge0
mass623.29734
referencechebi:71956
InChIKeyOIRUWDYJGMHDHJ-AFXVCOSJSA-N
InChIInChI=1S/C31H45N3O8.ClH/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35;/h8-11,15-17,19,24-25,27,29,33,35-37H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38);1H/b11-9-,18-10+,20-15+;/t17-,19+,24+,25+,27-,29+;/m1./s1
SMILESC=CCNc1c(O)cc2c(O)c1C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N2.Cl
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
reactome:R-ALL-1217514
reactomeM:R-ALL-1217514
CHEBI:71956
chebi:71956 		retaspimycin hydrochloride
(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(allylamino)-13,20,22-trihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18,20-hexaen-9-yl carbamate hydrochloride
17-Allylamino-17-demethoxygeldanamycin hydroquinone hydrochloride
IPI 504
IPI-504
retaspimycin monohydrochloride
kegg.drug:D09376
keggD:D09376 		Retaspimycin hydrochloride (USAN)
keggD:M_D09376 secondary/obsolete/fantasy identifier