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O-demethylpuromycin

MNXM4749 is deprecated and here replaced by MNXM1371779
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371779 Image of MNXM1371779
referencechebi:58037
formulaC21H28N7O5
global charge1
mol weight458.499
InChIKeyNVZJDPXVSWFFJJ-YXDKPKCJSA-O
InChIInChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/p+1/t13-,14+,15+,17+,21+/m0/s1
SMILESCN(C)C1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]([NH3+])CC2=CC=C(O)C=C2)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13-,14+,15+,17+,21+/m0/s1 Image of MNXM1371779
SMILES (mnx)[CH3:1][N:27]([CH3:2])[C:18]1=[C:16]2[C:19](=[N:24][CH:9]=[N:23]1)[N:28]([C@H:21]1[C@H:17]([OH:31])[C@H:15]([N:26]=[C:20]([C@H:13]([CH2:7][C:11]3=[CH:4][CH:6]=[C:12]([OH:30])[CH:5]=[CH:3]3)[NH2:22])[OH:32])[C@@H:14]([CH2:8][OH:29])[O:33]1)[CH:10]=[N:25]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58037
chebi:58037
NVZJDPXVSWFFJJ-YXDKPKCJSA-O 		O-demethylpuromycin
3'-deoxy-N,N-dimethyl-3'-(L-tyrosiniumamido)adenosine
O-demethylpuromycin cation
O-demethylpuromycin(1+)

kegg.compound:C02864
keggC:C02864
NVZJDPXVSWFFJJ-YXDKPKCJSA-N 		O-Demethylpuromycin

seed.compound:cpd01841
seedM:cpd01841
NVZJDPXVSWFFJJ-YXDKPKCJSA-O 		O-Demethylpuromycin
2-amino-N-[5-[(6-dimethylamino-9H-purin-9-yl)]-4-hydroxy-2- (hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)- propanamid
O-demethylpuromycin

CHEBI:17161
chebi:17161
NVZJDPXVSWFFJJ-YXDKPKCJSA-N 		O-demethylpuromycin
3'-deoxy-N,N-dimethyl-3'-(L-tyrosinamido)adenosine
O-Demethylpuromycin

chebi:12713
chebi:21952
chebi:7682
keggC:M_C02864
seedM:M_cpd01841 		secondary/obsolete/fantasy identifier