MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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5'-deoxyadenosine

MNXM316 is deprecated and here replaced by MNXM1103313
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1103313
reference	chebi:17319
formula	C₁₀H₁₃N₅O₃
global charge	0
mol weight	251.246
InChIKey	XGYIMTFOTBMPFP-KQYNXXCUSA-N
InChI	InChI=1S/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
SMILES	C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
SMILES (mnx)	[CH3:1][C@@H:4]1[C@@H:6]([OH:16])[C@@H:7]([OH:17])[C@H:10]([N:15]2[CH:3]=[N:14][C:5]3=[C:8]([NH2:11])[N:12]=[CH:2][N:13]=[C:9]32)[O:18]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	312
in models (compartimentalized)	56

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1130791 reactomeM:R-ALL-1130791 reactome:R-ALL-6793613 reactomeM:R-ALL-6793613 reactome:R-ALL-947703 reactomeM:R-ALL-947703 CHEBI:17319 chebi:17319 XGYIMTFOTBMPFP-KQYNXXCUSA-N	5'-deoxyadenosine 5'-DEOXYADENOSINE 5'-Deoxyadenosine
bigg.metabolite:dad_5 biggM:dad_5 sabiork.compound:2720 sabiorkM:2720 kegg.compound:C05198 keggC:C05198 XGYIMTFOTBMPFP-KQYNXXCUSA-N	5'-Deoxyadenosine
hmdb:HMDB0001983 XGYIMTFOTBMPFP-KQYNXXCUSA-N	5'-Deoxyadenosine (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-methyloxolane-3,4-diol 5'-DAdo nucleoside 5'-Deoxy-adenosine 5'-deoxyadenosine
seed.compound:cpd03091 seedM:cpd03091 XGYIMTFOTBMPFP-KQYNXXCUSA-N	5'-Deoxyadenosine 5'-deoxyadenosine CH3Ado dad-5
metacyc.compound:CH33ADO metacycM:CH33ADO XGYIMTFOTBMPFP-KQYNXXCUSA-N	5'-deoxyadenosine CH3Ado
vmhM:dad_5 vmhmetabolite:dad_5 XGYIMTFOTBMPFP-KQYNXXCUSA-N	5-Deoxyadenosine (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-methyloxolane-3,4-diol
hmdb:HMDB01983 chebi:12061 chebi:1960 chebi:20493 chebi:40099 biggM:M_dad_5 keggC:M_C05198 seedM:M_cpd03091 vmhM:M_dad_5	secondary/obsolete/fantasy identifier