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6-Thioxanthine 5'-monophosphate

Properties

Image

Occurences in reactions

MNX_ID

MNXM6955

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₁₀H₁₃N₄O₈PS

charge

mass

380.01917

reference

chebi:80612

InChIKey

WMRIOGFRJLQENF-UUOKFMHZSA-N

InChI

InChI=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

SMILES

O=c1[nH]c(=S)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:6txan5mp biggM:6txan5mp seed.compound:cpd16422 seedM:cpd16422 CHEBI:80612 chebi:80612 kegg.compound:C16618 keggC:C16618	6-Thioxanthine 5'-monophosphate
hmdb:HMDB0060418	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
hmdb:HMDB60418 biggM:M_6txan5mp keggC:M_C16618 seedM:M_cpd16422	secondary/obsolete/fantasy identifier