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Cytidine 3'-monophosphate

PubChem CID: 66535

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Compound Synonyms Cytidine 3'-monophosphate, 84-52-6, 3'-Cytidylic acid, 3'-CMP, Cytidine-3'-Monophosphate, Cytidine 3-monophosphate, 3-Cytidylic acid, Cytidine 3'-phosphate, Cytidine-3/'-Monophosphate, 6DZL5I6D4D, CHEMBL258728, [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate, CHEBI:53013, (2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen phosphate, C3P, UNII-6DZL5I6D4D, Cytidylic acid B, 3'(2')-Cytidylic Acid, 3'(2')-CMP, 3'(2')-Cytidinephosphoric Acid, 3'(2')-Cytosylic Acid, Ribocytidine 3'(2')-Monophosphate, , EINECS 201-537-5, MFCD00006543, cytidine-3'-phosphate, CytidylsA currencyure b, ST057096, cytidine-3''-monophosphate, SCHEMBL79966, Cytidine 3'-monophosphoric acid, CYTIDINE, 3'-PHOSPHATE, UOOOPKANIPLQPU-XVFCMESISA-, 3'-CYTIDYLIC ACID [MI], 3'-CYTIDINEPHOSPHORIC ACID, DTXSID301004260, Cytidine-3'-(dihydrogen phosphate), BDBM50233301, RIBOCYTIDINE 3'-MONOPHOSPHATE, AKOS015856718, AKOS015895646, DB01961, s10910, NCGC00142494-01, (3S,2R,4R,5R)-5-(4-amino-2-oxohydropyrimidinyl)-4-hydroxy-2-(hydroxymethyl)oxo lan-3-yl dihydrogen phosphate, HY-131796, CS-0141463, C05822, Q27104806, 4-Imino-1-(3-O-phosphonopentofuranosyl)-1,4-dihydropyrimidin-2-ol, [(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxola, (2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yldihydrogenphosphate, [(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate, [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate, InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Topological Polar Surface Area 175.0
Hydrogen Bond Donor Count 5.0
Heavy Atom Count 21.0
Isotope Atom Count 0.0
Molecular Complexity 531.0
Database Name cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 4.0
Uniprot Id P07998, P61823, P00669, Q03164, P10828, P08684
Iupac Name [(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
Prediction Hob 0.0
Class Organooxygen compounds
Target Id NPT907, NPT46, NPT109
Xlogp -3.8
Superclass Organic oxygen compounds
Subclass Carbohydrates and carbohydrate conjugates
Molecular Formula C9H14N3O8P
Prediction Swissadme 0.0
Inchi Key UOOOPKANIPLQPU-XVFCMESISA-N
Fcsp3 0.5555555555555556
Logs -0.226
Rotatable Bond Count 4.0
Logd -2.015
Synonyms 3'-Cytidylic acid, Cytidine 3'-phosphate, CYTIDINE-3'-monophosphATE, 3'-Cytidylate, Cytidine 3'-phosphoric acid, CYTIDINE-3'-monophosphoric acid, Cytidine 3'-monophosphoric acid, CMP, monoPhosphate, cytidine, Acid, cytidylic, Cytidylic acid, 3' CMP, Cytidine monophosphate, 3'-CMP, 3'-Cytidinephosphoric acid, 3'-Cytosylic acid, 3’-CMP, 3’-cytidinephosphoric acid, 3’-cytosylic acid, Cytidine 3’-monophosphate, Ribocytidine 3'-monophosphate, Ribocytidine 3’-monophosphate, Cytidine 3'-monophosphate
Compound Name Cytidine 3'-monophosphate
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 323.052
Formal Charge 0.0
Monoisotopic Mass 323.052
Hydrogen Bond Acceptor Count 8.0
Molecular Weight 323.2
Covalent Unit Count 1.0
Total Atom Stereocenter Count 4.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Esol -0.3233561714285712
Inchi InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Smiles C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OP(=O)(O)O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Pentose phosphates