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5-taurinomethyl-2-thiouridine

PropertiesImage
MNX_IDMNXM1100747 Image of MNXM1100747
referencemetacycM:CPD-19980
formulaC12H18N3O8S2
global charge-1
mol weight396.423
InChIKeyXMIFBEZRFMTGRL-TURQNECASA-M
InChIInChI=1S/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/p-1/t7-,8-,9-,11-/m1/s1
SMILESO=C1NC(=S)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C=C1CNCCS(=O)(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H19N3O8S2/c16-5-7-8(17)9(18)11(23-7)15-4-6(10(19)14-12(15)24)3-13-1-2-25(20,21)22/h4,7-9,11,13,16-18H,1-3,5H2,(H,14,19,24)(H,20,21,22)/t7-,8-,9-,11-/m1/s1 Image of MNXM1100747
SMILES (mnx)[CH2:1]([CH2:2][S:25]([OH:20])(=[O:21])=[O:22])[NH:13][CH2:3][C:6]1=[CH:4][N:15]([C@H:11]2[C@H:9]([OH:18])[C@H:8]([OH:17])[C@@H:7]([CH2:5][OH:16])[O:23]2)[C:12](=[S:24])[N:14]=[C:10]1[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-19980
metacycM:CPD-19980
seed.compound:cpd34234
seedM:cpd34234
XMIFBEZRFMTGRL-TURQNECASA-M
XMIFBEZRFMTGRL-TURQNECASA-N 		5-taurinomethyl-2-thiouridine
taum5s2U
hmdb:HMDB0011610
XMIFBEZRFMTGRL-NHSUTOTLSA-N 		5-Taurinomethyl-2-thiouridine
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-sulfanylidene-1,2-dihydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonate
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-sulphanylidene-1,2-dihydropyrimidin-5-yl}methyl)amino]ethane-1-sulphonate
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-2-sulphanylidene-1,2-dihydropyrimidin-5-yl}methyl)amino]ethane-1-sulphonic acid
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-5-yl}methyl)amino]ethane-1-sulfonic acid
2-[({1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulfanylidene-3H-pyrimidin-5-yl}methyl)amino]ethanesulfonic acid
2-[[(1,2,3,4-tetrahydro-4-oxo-1-b-D-Ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-ethanesulfonic acid
2-[[(1,2,3,4-tetrahydro-4-oxo-1-beta-delta-Ribofuranosyl-2-thioxo-5-pyrimidinyl)methyl]amino]-ethanesulfonic acid
Taum(5)S(2)u

CHEBI:191882
chebi:191882
XMIFBEZRFMTGRL-NHSUTOTLSA-N 		5-Taurinomethyl-2-thiouridine
2-[[1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-2-sulanylidenepyrimidin-5-yl]methylamino]ethanesulonic acid

hmdb:HMDB11610
seedM:M_cpd34234 		secondary/obsolete/fantasy identifier