Search MNXref
 Feedback

doxorubicin

MNXM37015 is deprecated and here replaced by MNXM735003
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM735003 Image of MNXM735003
referencechebi:64816
formulaC27H30NO11
global charge1
mol weight544.533
InChIKeyAOJJSUZBOXZQNB-TZSSRYMLSA-O
InChIInChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/p+1/t10-,13-,15-,17-,22+,27-/m0/s1
SMILESCOC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)(C(=O)CO)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/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1 Image of MNXM735003
SMILES (mnx)[CH3:1][C@H:10]1[C@@H:22]([OH:31])[C@@H:13]([NH2:28])[CH2:6][C@H:17]([O:39][C@H:15]2[CH2:8][C@@:27]([C:16]([CH2:9][OH:29])=[O:30])([OH:36])[CH2:7][C:12]3=[C:24]([OH:33])[C:20]4=[C:21]([C:25](=[O:34])[C:18]5=[C:11]([CH:4]=[CH:3][CH:5]=[C:14]5[O:37][CH3:2])[C:23]4=[O:32])[C:26]([OH:35])=[C:19]32)[O:38]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64816
chebi:64816
AOJJSUZBOXZQNB-TZSSRYMLSA-O 		doxorubicin
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
doxorubicin cation
doxorubicin(1+)

lipidmaps:LMPK13050001
lipidmapsM:LMPK13050001
AOJJSUZBOXZQNB-TZSSRYMLSA-N 		Adriamycin

seed.compound:cpd01151
seedM:cpd01151
AOJJSUZBOXZQNB-TZSSRYMLSA-O 		Adriamycin
14-hydroxydaunomycin
14-hydroxydaunorubicine
Doxorubicin
adriamycin
doxorubicin

sabiork.compound:5717
sabiorkM:5717
AOJJSUZBOXZQNB-TZSSRYMLSA-N 		Adriamycin
Doxorubicin

bigg.metabolite:doxrbcn
biggM:doxrbcn
AOJJSUZBOXZQNB-TZSSRYMLSA-O 		Doxorubicin

kegg.drug:D03899
keggD:D03899
AOJJSUZBOXZQNB-TZSSRYMLSA-N 		Doxorubicin (USAN/INN)
ADR
Adriblastina (TN)
hmdb:HMDB0015132
AOJJSUZBOXZQNB-TZSSRYMLSA-N 		Doxorubicin
(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranoside
(1S,3S)-3-Glycoloyl-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,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
(8S-cis)-10-((3-Amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
(8S-cis)-10-((3-Amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
14-Hydroxydaunomycin
14-Hydroxydaunorubicine
ADR
Adriablastin
Adriablastine
Adriamycin
Adriblastin
Adriblastina
Adriblastine
Adrimedac
Baxter brand OF doxorubicin hydrochloride
Bedford brand OF doxorubicin hydrochloride
Bristol-myers squibb brand OF doxorubicin hydrochloride
Cell pharm brand OF doxorubicin hydrochloride
Columbia brand OF doxorubicin hydrochloride
Doxo cell
Doxo-cell
Doxolem
Doxorubicin NC
Doxorubicin hexal
Doxorubicin hydrochloride
Doxorubicina ferrer farm
Doxorubicina funk
Doxorubicina tedec
Doxorubicine
Doxorubicine baxter
Doxorubicinum
Doxotec
Elan brand OF doxorubicin hydrochloride
Farmiblastina
Ferrer brand OF doxorubicin hydrochloride
Hexal brand OF doxorubicin hydrochloride
Hydrochloride, doxorubicin
Kenfarma brand OF doxorubicin hydrochloride
Lemery brand OF doxorubicin hydrochloride
Medac brand OF doxorubicin hydrochloride
Myocet
Neocorp brand OF doxorubicin hydrochloride
Onkodox
Onkoworks brand OF doxorubicin hydrochloride
Pfizer brand OF doxorubicin hydrochloride
Prasfarma brand OF doxorubicin hydrochloride
Ribodoxo
Ribosepharm brand OF doxorubicin hydrochloride
Rubex
Tedec meiji brand OF doxorubicin hydrochloride
Urokit doxo cell
Urokit doxo-cell
doxorubicin

kegg.compound:C01661
keggC:C01661
AOJJSUZBOXZQNB-TZSSRYMLSA-N 		Doxorubicin
Adriamycin

CHEBI:28748
chebi:28748
AOJJSUZBOXZQNB-TZSSRYMLSA-N 		doxorubicin
(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
(1S,3S)-3-glycoloyl-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)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione
14-hydroxydaunomycin
14-hydroxydaunorubicine
Adriamycin
DOXORUBICIN
Doxorubicin
doxorubicine
doxorubicinum

metacyc.compound:CPD-13973
metacycM:CPD-13973
AOJJSUZBOXZQNB-TZSSRYMLSA-O 		doxorubicin
14-hydroxydaunomycin
14-hydroxydaunorubicine
adriamycin

hmdb:HMDB15132
chebi:22270
chebi:2496
chebi:42031
biggM:M_doxrbcn
keggC:M_C01661
keggD:M_D03899
seedM:M_cpd01151 		secondary/obsolete/fantasy identifier