Molecule

pseudouridine 5'-phosphate(2-)

AlkaPlorer ID: AK097980

Synonym: '(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphonato-D-ribitol', '5-(5-O-phosphonato-beta-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione', "pseudouridine 5'-phosphate dianion", "pseudouridine 5'-phosphate", 'Psi-UMP'

IUPAC Name: [(2R,3S,4R,5S)-5-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Structure

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

InChI: InChI=1S/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)/t4-,5-,6-,7+/m1/s1

InChIKey: MOBMOJGXNHLLIR-GBNDHIKLSA-N

Reference

Metabolomics reveals an involvement of pantothenate for male production responding to the short-day stimulus in the water flea, Daphnia pulex

PubChem CID: 439424

CAS: 1157-60-4

LOTUS: LTS0046185

NPASS: NPC323971

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daphnia pulex	Daphnia	Daphniidae	Diplostraca	Branchiopoda	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 324.182

TPSA？: 182.69

MolLogP？: -1.8412000000000004

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT023830	O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.O=c1cc[nH]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	R01055
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
AKRT024162	O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O	RXN0-5398
AKRT024163	O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O.O=c1cc[nH]c(=O)[nH]1	None
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
AKRT024165	O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1cc[nH]c(=O)[nH]1	RXN0-5398
AKRT024166	O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[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	58740
AKRT024359	O=c1cc[nH]c(=O)[nH]1.O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H]1O>>O=c1[nH]cc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	enzymemap_84337