Orotidine

AlkaPlorer ID: AK002794

Synonym: 'Orotidine'

IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid

Structure

SMILES: O=C(O)C1=CC(=O)NC(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

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InChI: InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1

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InChIKey: FKCRAVPPBFWEJD-XVFCMESISA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Neurospora crassa Neurospora Sordariaceae Sordariales Sordariomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 288.212

TPSA: 162.07999999999998

MolLogP: -3.1537

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023279 O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>O=C=O enzymemap_81606
AKRT023280 O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1 enzymemap_81606