Molecule

cytidine 2'-phosphate

AlkaPlorer ID: AK019896

Synonym: None

IUPAC Name: [(2R,3R,4R,5R)-2-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Structure

SMILES: NC1=NC(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)O)C=C1

InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

InChIKey: YQUAKORMLHPSLZ-XVFCMESISA-N

Reference

PubChem CID: 101544

CAS: 85-94-9

SuperNatural Ⅲ: SN0457798-07

NPASS: NPC280946

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pinus parviflora	Pinus	Pinaceae	Pinales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Heliotropium indicum	Heliotropium	Heliotropiaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lactobacillus acidophilus	Lactobacillus	Lactobacillaceae	Lactobacillales	Bacilli	Bacillota	None	Bacteria
Clitocybe truncicola	Clitocybe	Clitocybaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 323.198

TPSA？: 177.36

MolLogP？: -2.445999999999999

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Ribonuclease pancreatic	Ki	7000.0	nM	10.1016/j.bmc.2009.06.002
Bos taurus	Ribonuclease pancreatic	Ki	7000.0	nM	10.1016/j.bmc.2022.116888

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT020813	Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)O)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1	RXN-14511
AKRT020831	Nc1ccn([C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@H]32)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OP(=O)(O)O)c(=O)n1	RXN-12059