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daunorubicin

MNXM3576 is deprecated and here replaced by MNXM734767
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734767 Image of MNXM734767
referencechebi:64677
formulaC27H30NO10
global charge1
mol weight528.534
InChIKeySTQGQHZAVUOBTE-VGBVRHCVSA-O
InChIInChI=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
SMILESCOC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(C(C)=O)C[C@@H]4O[C@H]4C[C@H]([NH3+])[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1
MNX internals
InChI (mnx)InChI=1/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/t10-,14-,16-,17-,22+,27-/m0/s1 Image of MNXM734767
SMILES (mnx)[CH3:1][C@H:10]1[C@@H:22]([OH:30])[C@@H:14]([NH2:28])[CH2:7][C@H:17]([O:38][C@H:16]2[CH2:9][C@@:27]([C:11]([CH3:2])=[O:29])([OH:35])[CH2:8][C:13]3=[C:24]([OH:32])[C:20]4=[C:21]([C:25](=[O:33])[C:18]5=[C:12]([CH:5]=[CH:4][CH:6]=[C:15]5[O:36][CH3:3])[C:23]4=[O:31])[C:26]([OH:34])=[C:19]32)[O:37]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64677
chebi:64677
STQGQHZAVUOBTE-VGBVRHCVSA-O 		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
STQGQHZAVUOBTE-VGBVRHCVSA-O 		Daunomycin
Daunorubicin
daunomycin
daunorubicin
rubidomycin

lipidmaps:LMPK13050002
lipidmapsM:LMPK13050002
STQGQHZAVUOBTE-VGBVRHCVSA-N 		Daunorubicin

kegg.drug:D07776
keggD:D07776
STQGQHZAVUOBTE-VGBVRHCVSA-N 		Daunorubicin (INN)
DM
DaunoXome (TN)
hmdb:HMDB0014832
STQGQHZAVUOBTE-VGBVRHCVSA-N 		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
STQGQHZAVUOBTE-VGBVRHCVSA-N 		Daunorubicin
(+)-Daunomycin
Daunomycin

sabiork.compound:5878
sabiorkM:5878
STQGQHZAVUOBTE-VGBVRHCVSA-O 		Daunorubicin
Daunomycin

CHEBI:41977
chebi:41977
STQGQHZAVUOBTE-VGBVRHCVSA-N 		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
STQGQHZAVUOBTE-VGBVRHCVSA-O 		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