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pseudouridine

AlkaPlorer ID: AK010603

Synonym: 'p', '', 'Psi-uridine', '(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol', '5-Ribosyluracil', 'beta-Pseudouridine', 'Pseudouridine', 'pseudouridine', '5-(beta-D-ribofuranosyl)uracil'

IUPAC Name: 5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione

Structure

SMILES: OC[C@H]1O[C@@H](C2=CN=C(O)N=C2O)[C@H](O)[C@@H]1O

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InChI: InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)/t4-,5-,6-,7+/m1/s1

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InChIKey: PTJWIQPHWPFNBW-GBNDHIKLSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trypanosoma brucei Trypanosoma Trypanosomatidae Trypanosomatida Kinetoplastea Euglenozoa None Eukaryota

Properties Information

Molecule Weight: 244.20300000000003

TPSA？: 136.16

MolLogP？: -1.9582000000000004

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Thymidine phosphorylase Ki None nM 10.1016/s0960-894x(02)00828-4

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024161 O=c1[nH]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 PSEUDOURIDINE-KINASE-RXN
AKRT024164 O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1[nH]cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 RXN-15703