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daunorubicin

Properties

Image

Occurences in reactions

MNX_ID

MNXM734767

	#reac
in my sandbox	0
in MNXref (generic)	10
in models (compartimentalized)	1

formula

C₂₇H₃₀NO₁₀

charge

mass

528.18642

reference

chebi:64677

InChIKey

STQGQHZAVUOBTE-VGBVRHCVSA-O

InChI

InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/p+1/t10-,14-,16-,17-,22+,27-/m0/s1

SMILES

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:64677 chebi:64677	daunorubicin (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-ammmonio-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside daunorubicin (+1) daunorubicin cation daunorubicin(1+)
seed.compound:cpd01310 seedM:cpd01310	Daunomycin Daunorubicin daunomycin daunorubicin rubidomycin
lipidmaps:LMPK13050002 lipidmapsM:LMPK13050002	Daunorubicin
kegg.drug:D07776 keggD:D07776	Daunorubicin (INN) DM DaunoXome (TN)
hmdb:HMDB0014832	Daunorubicin (+)-Daunomycin (8S,10S)-8-acetyl-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione Acetyladriamycin Cerubidine DM Dauno rubidomycine Dauno-rubidomycine DaunoXome Daunoblastin Daunoblastine Daunomycin Daunorubicin hydrochloride Daunorubicinum Hydrochloride, daunorubicin Leukaemomycin C Rubidomycin Rubomycin daunorubicin
kegg.compound:C01907 keggC:C01907	Daunorubicin (+)-Daunomycin Daunomycin
sabiork.compound:5878 sabiorkM:5878	Daunorubicin Daunomycin
CHEBI:41977 chebi:41977	daunorubicin (+)-daunomycin (1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside (8S-cis)-8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrannosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-napthacenedione DAUNOMYCIN Daunomycin Daunorubicin acetyladriamycin daunorubicinum leukaemomycin C
metacyc.compound:CPD-13962 metacycM:CPD-13962	daunorubicin daunomycin rubidomycin
hmdb:HMDB14832 chebi:23560 chebi:41970 chebi:4330 chebi:65723 keggC:M_C01907 keggD:M_D07776 seedM:M_cpd01310	secondary/obsolete/fantasy identifier