Search MNXref
 Feedback

(13S)-13-dihydrodaunorubicin

MNXM6052 is deprecated and here replaced by MNXM738764
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM738764 Image of MNXM738764
referencechebi:31031
formulaC27H31NO10
global charge0
mol weight529.542
InChIKeyHJEZFVLKJYFNQW-PRFXOSGESA-N
InChIInChI=1S/C27H31NO10/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/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1
SMILESCOC1=C2C(=O)C3=C(O)C4=C(C[C@@](O)([C@H](C)O)C[C@@H]4O[C@H]4C[C@H](N)[C@H](O)[C@H](C)O4)C(O)=C3C(=O)C2=CC=C1
MNX internals
InChI (mnx)InChI=1/C27H31NO10/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/h4-6,10-11,14,16-17,22,29-30,32,34-35H,7-9,28H2,1-3H3/t10-,11-,14-,16-,17-,22+,27-/m0/s1 Image of MNXM738764
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@H:11]([CH3:2])[OH: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)6
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31031
chebi:31031
HJEZFVLKJYFNQW-PRFXOSGESA-N 		(13S)-13-dihydrodaunorubicin
(1S,3S)-3,5,12-trihydroxy-3-[(1S)-1-hydroxyethyl]-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

lipidmaps:LMPK13050005
lipidmapsM:LMPK13050005
HJEZFVLKJYFNQW-PRFXOSGESA-N 		(13S)-13-Dihydrodaunorubicin

kegg.compound:C12433
keggC:C12433
HJEZFVLKJYFNQW-PRFXOSGESA-N 		(13S)-13-Dihydrodaunorubicin
13-Dihydrodaunorubicin
Daunorubicinol

seed.compound:cpd09185
seedM:cpd09185
HJEZFVLKJYFNQW-PRFXOSGESA-O 		(13S)-13-Dihydrodaunorubicin
Daunorubicinol

kegg.compound:C12430
keggC:C12430
lipidmaps:LMPK13050004
lipidmapsM:LMPK13050004
HJEZFVLKJYFNQW-FKKRWUELSA-N 		13-Dihydrodaunorubicin

seed.compound:cpd09182
seedM:cpd09182
HJEZFVLKJYFNQW-FKKRWUELSA-O 		13-Dihydrodaunorubicin
13-dihydrodaunorubicin
daunorubicinol

CHEBI:31059
chebi:31059
HJEZFVLKJYFNQW-FKKRWUELSA-N 		13-dihydrodaunorubicin
(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
1-Hydroxy-13-dihydrodaunomycin
13-Dihydrodaunomycin
Antibiotic 20-798RP
Daunomycinol
Daunorubicinol
Dihydrodaunomycin
Duborimycin
Leukaemomycin D

CHEBI:75296
chebi:75296
HJEZFVLKJYFNQW-FKKRWUELSA-O 		13-dihydrodaunorubicin
(1S,3S)-3,5,12-trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside
13-dihydrodaunorubicin(1+)

metacyc.compound:CPD-15735
metacycM:CPD-15735
HJEZFVLKJYFNQW-FKKRWUELSA-O 		13-dihydrodaunorubicin
daunorubicinol

keggC:M_C12430
keggC:M_C12433
seedM:M_cpd09182
seedM:M_cpd09185 		secondary/obsolete/fantasy identifier