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CHEBI:57818 - 5,10-methylenetetrahydromethanopterin(3−)

ChEBI IDCHEBI:57818
ChEBI Name5,10-methylenetetrahydromethanopterin(3−)
Stars
ASCII Name5,10-methylenetetrahydromethanopterin(3-)
DefinitionTrianion of 5,10-methylenetetrahydromethanopterin arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3.
Last Modified7 July 2014
DownloadsMolfile
FormulaC31H42N6O16P
Net Charge-3
Average Mass785.677
Monoisotopic Mass785.24114
SMILES[H][C@]12[C@H](C)Nc3nc(N)nc(=O)c3N1CN(c1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]3O)cc1)[C@@H]2C
InChIInChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/p-3/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1
InChIKeyGBMIGEWJAPFSQI-CAFBYHECSA-K
ChEBI Ontology
Outgoing Relation(s)
5,10-methylenetetrahydromethanopterin(3−) (CHEBI:57818) is a dicarboxylic acid dianion (CHEBI:28965)
5,10-methylenetetrahydromethanopterin(3−) (CHEBI:57818) is a organophosphate oxoanion (CHEBI:58945)
5,10-methylenetetrahydromethanopterin(3−) (CHEBI:57818) is conjugate base of 5,10-methylenetetrahydromethanopterin (CHEBI:16568)
Incoming Relation(s)
5,10-methylenetetrahydromethanopterin (CHEBI:16568) is conjugate acid of 5,10-methylenetetrahydromethanopterin(3−) (CHEBI:57818)
IUPAC Name 
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-[5-O-({[(1S)-1,3-dicarboxylatopropyl]oxy}phosphinato)-α-D-ribofuranosyl]-D-ribitol
Synonym  Source
5,10-methylenetetrahydromethanopterin trianionChEBI
UniProt Name  Source
5,10-methylenetetrahydromethanopterinUniProt