1.0 2016-10-03 18:22:59 UTC 2020-05-11 20:42:35 UTC BMDB0011691 BMDB11691 Cytidine 2',3'-cyclic phosphate Cytidine 2',3'-cyclic phosphoric acid 2',3' Cyclic CMP 2',3' Cyclic-CMP Cyclic(2',3')-CMP Cytidine-2',3'-cyclophosphate C9H12N3O7P 305.1812 305.041286265 1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-amino-1,2-dihydropyrimidin-2-one 1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-aminopyrimidin-2-one 15718-51-1 NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12 InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1 NMPZCCZXCOMSDQ-ZRTZXPPTSA-N belongs to the class of organic compounds known as 2',3'-cyclic pyrimidine nucleotides. These are pyrimidine nucleotides in which the oxygen atoms linked to the C2 and C3 carbon atoms of the ribose moiety are both bonded the same phosphorus atom of the phosphate group. Organic compounds Nucleosides, nucleotides, and analogues Pyrimidine nucleotides Cyclic pyrimidine nucleotides 2',3'-cyclic pyrimidine nucleotides Aminopyrimidines and derivatives Azacyclic compounds Dioxaphospholanes Heteroaromatic compounds Hydrocarbon derivatives Hydropyrimidines Imidolactams Monosaccharides Organic oxides Organic phosphoric acids and derivatives Organopnictogen compounds Oxacyclic compounds Primary alcohols Primary amines Pyrimidones Ribonucleoside 3'-phosphates Tetrahydrofurans 1,3_dioxaphospholane 2',3'-cyclic pyrimidine ribonucleotide Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydropyrimidine Imidolactam Monosaccharide Organic nitrogen compound Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Primary alcohol Primary amine Pyrimidine Pyrimidone Ribonucleoside 3'-phosphate Tetrahydrofuran Aromatic heteropolycyclic compounds Solid logp -1.78 ALOGPS logs -1.17 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic -0.65 ChemAxon pka_strongest_basic 1.76 ChemAxon iupac 1-[(3aR,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxo-tetrahydro-2H-2λ⁵-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-4-amino-1,2-dihydropyrimidin-2-one ChemAxon average_mass 305.1812 ChemAxon mono_mass 305.041286265 ChemAxon smiles NC1=NC(=O)N(C=C1)C1O[C@H](CO)[C@H]2OP(O)(=O)O[C@@H]12 ChemAxon formula C9H12N3O7P ChemAxon inchi InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8?/m1/s1 ChemAxon inchikey NMPZCCZXCOMSDQ-ZRTZXPPTSA-N ChemAxon polar_surface_area 143.91 ChemAxon refractivity 61.64 ChemAxon polarizability 25.76 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 7 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 13330 Specdb::CMs 39768 Specdb::CMs 174820 Specdb::MsMs 295309 Specdb::MsMs 295310 Specdb::MsMs 295311 Specdb::MsMs 336277 Specdb::MsMs 336278 Specdb::MsMs 336279 Specdb::MsMs 2236094 Specdb::MsMs 2237305 Specdb::MsMs 2238166 Specdb::MsMs 2239397 Specdb::MsMs 2240313 Specdb::MsMs 2241411 Specdb::MsMs 2242393 Specdb::MsMs 2243448 Specdb::MsMs 2250599 Specdb::MsMs 2251806 Specdb::MsMs 2257299 Specdb::MsMs 2677452 Specdb::MsMs 2677453 Specdb::MsMs 2677454 Specdb::MsMs 3028742 Specdb::MsMs 3028743 Specdb::MsMs 3028744 Specdb::NmrOneD 94052 Specdb::NmrOneD 94053 Specdb::NmrOneD 94054 Specdb::NmrOneD 94055 Specdb::NmrOneD 94056 Specdb::NmrOneD 94057 Specdb::NmrOneD 94058 Specdb::NmrOneD 94059 Specdb::NmrOneD 94060 Specdb::NmrOneD 94061 Specdb::NmrOneD 94062 Specdb::NmrOneD 94063 Specdb::NmrOneD 94064 Specdb::NmrOneD 94065 Specdb::NmrOneD 94066 Specdb::NmrOneD 94067 Specdb::NmrOneD 94068 Specdb::NmrOneD 94069 Specdb::NmrOneD 94070 Specdb::NmrOneD 94071 Placenta Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 C00127 35032090 53481030 FDB028378 Glutathione disulfide 177258