Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 02:25:06 UTC
Update Date2022-08-31 06:31:17 UTC
Metabolite IDMMDBc0010138
Metabolite Identification
Common NameMethanofuran
Descriptionmethanofuran, also known as CDR factor, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. These species feature a 2-aminomethylfuran linked to phenoxy group. methanofuran is a moderately acidic compound (based on its pKa). At least three different end groups are recognized: R tricarboxyheptanoyl (methanofuran), glutamyl-glutamyl (methanofuran b), tricarboxy-2-hydroxyheptanoyl (methanofuran c, see picture). The enzyme formylmethanofuran dehydrogenase (EC: 1.2.99.5) formylates methanofuran using CO2, the primary C1 source in methanogenesis. This enzyme has been crystallized; it contains no prosthetic group. Methanofurans are a family of chemical compounds found in methanogenic archaea. The enzyme formylmethanofuran:tetrahydromethanopterin formyltransferase catalyzes the transfer of the formyl group from formylmethanofuran to N5 on tetrahydromethanopterin, H4MPT. Methanofuran converts to formylmethanofuran in an early stage of methanogenesis.
Structure
Synonyms
ValueSource
CDR FactorMeSH
Carbon dioxide reduction factorMeSH
Molecular FormulaC34H44N4O15
Average Mass748.739
Monoisotopic Mass748.280316733
IUPAC Name1-[2-({3-[(3-{[2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethyl]-C-hydroxycarbonimidoyl}-1-carboxypropyl)-C-hydroxycarbonimidoyl]-1-carboxypropyl}-C-hydroxycarbonimidoyl)ethyl]butane-1,2,4-tricarboxylic acid
Traditional Name1-[2-({3-[(3-{[2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethyl]-C-hydroxycarbonimidoyl}-1-carboxypropyl)-C-hydroxycarbonimidoyl]-1-carboxypropyl}-C-hydroxycarbonimidoyl)ethyl]butane-1,2,4-tricarboxylic acid
CAS Registry NumberNot Available
SMILES
NCC1=CC(COC2=CC=C(CCN=C(O)CCC(N=C(O)CCC(N=C(O)CCC(C(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C=C2)=CO1
InChI Identifier
InChI=1S/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,23-26H,5-14,16-17,35H2,(H,36,39)(H,37,40)(H,38,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)
InChI KeyCKRUWFDORAQSRC-UHFFFAOYSA-N