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Xanthosine

AlkaPlorer ID: AK015702

Synonym: None

IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione

Structure

SMILES: O=C1NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=N2

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InChI: InChI=1S/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17H,1H2,(H2,12,13,18,19)/t3-,5-,6-,9-/m1/s1

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InChIKey: UBORTCNDUKBEOP-UUOKFMHZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Mus musculus Mus Muridae Rodentia Mammalia Chordata Metazoa Eukaryota

Properties Information

Molecule Weight: 284.228

TPSA？: 153.46000000000004

MolLogP？: -2.975599999999999

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus anthracis Bacillus anthracis Activity nan None 10.1074/jbc.m611432200
Bacillus anthracis Bacillus anthracis IC50 7190000.0 nM 10.1128/aac.01029-10
Bacillus anthracis Bacillus anthracis IC50 nan None 10.1128/aac.01029-10
Bacillus anthracis Bacillus anthracis Ki 777000.0 nM 10.1074/jbc.m611432200
Mus musculus J774.A1 Activity nan None 10.1128/aac.01029-10
None Erythroleukemia cell line ID50 7.0 mM 10.1021/jm00148a018
None Erythroleukemia cell line Optimal concentration 7.0 mM 10.1021/jm00148a018

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014740 C[SAH].O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2[nH]c(=O)[nH]c(=O)c21 RXN-7596
AKRT016389 N=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 enzymemap_79103
AKRT021284 Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 GUANOSINE-DEAMINASE-RXN
AKRT023870 O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.O=c1[nH]c(=O)c2[nH]cnc2[nH]1>>O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 R02297
AKRT024123 O=c1[nH]c(=O)c2nc[nH]c2[nH]1.O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 RXN-22629
AKRT024127 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1.O=c1[nH]cnc2nc[nH]c12>>O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O RXN-22629
AKRT024128 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(=O)[nH]c32)[C@H](O)[C@@H]1O enzymemap_7119
AKRT024129 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=C[C@H](O)[C@H](O)[C@H](O)CO MNXR177658
AKRT024130 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O XANTHOSINEPHOSPHORY-RXN
AKRT024131 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1[nH]c(=O)c2[nH]cnc2[nH]1 R02143
AKRT024132 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1[nH]c(=O)c2nc[nH]c2[nH]1 XANTHOSINEPHOSPHORY-RXN
AKRT024133 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1 enzymemap_44989
AKRT024134 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>OC[C@H]1OC(O)[C@H](O)[C@@H]1O RXN0-363
AKRT024135 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O MNXR173282
AKRT024136 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1>>O[C@@H]1CO[C@@H](O)[C@H](O)[C@@H]1O MNXR179550
AKRT024138 O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1>>O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 XMPXAN-RXN