Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:31:54 UTC
Update Date2022-08-31 13:43:08 UTC
Metabolite IDMMDBc0029549
Metabolite Identification
Common NameCob(I)yrinate a,c diamide
DescriptionCob(I)yrinate a,c diamide is an intermediate in porphyrin and chlorophyll metabolism. It is the sixth to last step in the synthesis of vitamin B12 coenzyme and is converted from Cob(II)yrinate a,c diamide via the enzyme cob(II)yrinic acid a,c-diamide reductase [EC:1.16.8.1]. It is then converted to adenosyl cobyrinate a,c diamide via the enzyme cob(I)alamin adenosyltransferase [EC:2.5.1.17]. Ubiquinone (also known as coenzyme Q) is an isoprenoid quinone that functions as an electron carrier in membranes. Ubiquinone synthesis involves the conversion of chorismate to 4-hydroxybenzoate by choris
Structure
Synonyms
ValueSource
Cob(I)yrinate a,c diamideChEBI
Cob(I)yrinate diamideChEBI
Cob(I)yrinic acid a,c-diamideChEBI
Cob(I)yrinic acid diamideGenerator
Cob(I)yrinate a,c-diamideGenerator
Molecular FormulaC45H61CoN6O12
Average Mass936.932
Monoisotopic Mass936.36794664
IUPAC Name[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobalt
Traditional Name[(1R,2R,3S,4S,8S,9S,14S,18R,19R)-3,8-bis(carbamoylmethyl)-4,9,14,18-tetrakis(2-carboxyethyl)-19-(carboxymethyl)-2,3,6,8,13,13,16,18-octamethyl-20,21,22,23-tetraazapentacyclo[15.2.1.1²,⁵.1⁷,¹⁰.1¹²,¹⁵]tricosa-5(23),6,10(22),11,15(21),16-hexaen-20-yl]cobalt
CAS Registry NumberNot Available
SMILES
[Co]N1\C2=C(C)/C3=N/C(=C\C4=N\C(=C(C)/C5=N[C@@](C)([C@@]1([H])[C@H](CC(=O)O)[C@@]2(C)CCC(=O)O)[C@@](C)(CC(=O)N)[C@@H]5CCC(=O)O)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)O)/C(C)(C)[C@@H]3CCC(=O)O
InChI Identifier
InChI=1S/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChI KeyNKLHEMWEQJCPPF-OKJGWHJPSA-M