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6-Thioxanthine 5'-monophosphate

PropertiesImage
MNX_IDMNXM6955 Image of MNXM6955
referencechebi:80612
formulaC10H13N4O8PS
global charge0
mol weight380.275
InChIKeyWMRIOGFRJLQENF-UUOKFMHZSA-N
InChIInChI=1S/C10H13N4O8PS/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-2-11-4-7(14)12-10(17)13-8(4)24/h2-3,5-6,9,15-16H,1H2,(H2,18,19,20)(H2,12,13,17,24)/t3-,5-,6-,9-/m1/s1
SMILESO=C1NC(=S)C2=C(N1)N([C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C=N2
MNX internals
InChI (mnx)InChI=1/C10H13N4O8PS/c15-5-3(1-21-23(18,19)20)22-9(6(5)16)14-2-11-4-7(14)12-10(17)13-8(4)24/h2-3,5-6,9,15-16H,1H2,(H2,18,19,20)(H2,12,13,17,24)/t3-,5-,6-,9-/m1/s1 Image of MNXM6955
SMILES (mnx)[CH2:1]([C@@H:3]1[C@@H:5]([OH:15])[C@@H:6]([OH:16])[C@H:9]([N:14]2[CH:2]=[N:11][C:4]3=[C:7]2[N:12]=[C:10]([OH:17])[N:13]=[C:8]3[SH:24])[O:22]1)[O:21][P:23]([OH:18])([OH:19])=[O:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:6txan5mp
biggM:6txan5mp
seed.compound:cpd16422
seedM:cpd16422
reactome:R-ALL-9750571
reactomeM:R-ALL-9750571
CHEBI:80612
chebi:80612
kegg.compound:C16618
keggC:C16618
WMRIOGFRJLQENF-UUOKFMHZSA-L
WMRIOGFRJLQENF-UUOKFMHZSA-N 		6-Thioxanthine 5'-monophosphate
hmdb:HMDB0060418
WMRIOGFRJLQENF-UUOKFMHZSA-N 		6-Thioxanthine 5'-monophosphate
6-Thioxanthine 5'-monophosphoric acid
TXMP
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonate
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulphanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonate
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulphanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

vmhM:6txthn5mp
vmhmetabolite:6txthn5mp
WMRIOGFRJLQENF-UUOKFMHZSA-N 		6-Thioxanthine 5-monophosphate
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-6-sulfanyl-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

hmdb:HMDB60418
biggM:M_6txan5mp
keggC:M_C16618
seedM:M_cpd16422
vmhM:M_6txthn5mp 		secondary/obsolete/fantasy identifier