1.0 2011-09-21 00:28:37 UTC 2015-07-21 06:57:39 UTC FDB023357 Corrinoid A corrin is a macrocycle related to the porphyrin ring in hemoglobin, consisting of 4 pyrrole subunits, joined on opposite sides by a C-CH3 methylene link, on one side by a C-H methylene link, and with the two of the pyrroles joined directly. Compared to a porphyrin, it is missing a bridging methylene group between a pair of pyrroles. This ring is central to the cobalt containing vitamin, vitamin B12, or cobalamin. Corrins have properties related to porphyrins. An example of a corrinoid is cyanocobalamin. Cyanocobalamin is an especially common vitamer of the B-12 vitamin family. [HMDB] corrin Crn Korrin C19H22N4 306.4048 306.184446724 20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10,12(21),15,17(20)-hexaene 20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10,12(21),15,17(20)-hexaene 262-76-0 C1CC2=NC1C1CCC(C=C3CCC(C=C4CCC(N4)=C2)=N3)=N1 InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2 PXOPDYTVWWQZEK-UHFFFAOYSA-N belongs to the class of organic compounds known as tetrapyrroles and derivatives. These are polycyclic aromatic compounds containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. Tetrapyrroles and derivatives Organic compounds Organoheterocyclic compounds Tetrapyrroles and derivatives Aliphatic heteropolycyclic compounds Azacyclic compounds Dialkylamines Enamines Hydrocarbon derivatives Ketimines Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Pyrrolines Aliphatic heteropolycyclic compound Amine Azacycle Enamine Hydrocarbon derivative Imine Ketimine Organic 1,3-dipolar compound Organic nitrogen compound Organonitrogen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrroline Secondary aliphatic amine Secondary amine Tetrapyrrole skeleton logp 2.35 ALOGPS logs -3.93 ALOGPS solubility 3.63e-02 g/l ALOGPS logp 1.48 ChemAxon pka_strongest_acidic 17.63 ChemAxon pka_strongest_basic 9.57 ChemAxon iupac 20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10,12(21),15,17(20)-hexaene ChemAxon average_mass 306.4048 ChemAxon mono_mass 306.184446724 ChemAxon smiles C1CC2=NC1C1CCC(C=C3CCC(C=C4CCC(N4)=C2)=N3)=N1 ChemAxon formula C19H22N4 ChemAxon inchi InChI=1S/C19H22N4/c1-3-14-10-16-5-7-18(22-16)19-8-6-17(23-19)11-15-4-2-13(21-15)9-12(1)20-14/h9-11,18-20H,1-8H2 ChemAxon inchikey PXOPDYTVWWQZEK-UHFFFAOYSA-N ChemAxon polar_surface_area 49.11 ChemAxon refractivity 96.04 ChemAxon polarizability 35.46 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 104238 Specdb::CMs 116206 Specdb::MsMs 1251487 Specdb::MsMs 1251488 Specdb::MsMs 1251489 Specdb::MsMs 1366771 Specdb::MsMs 1366772 Specdb::MsMs 1366773 Specdb::MsMs 3425274 Specdb::MsMs 3425275 Specdb::MsMs 3425276 Specdb::MsMs 3425277 Specdb::MsMs 3425278 Specdb::MsMs 3425279 HMDB04269 33221