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CHEBI:58116 - 5-methyl-5,6,7,8-tetrahydromethanopterin(3−)

ChEBI IDCHEBI:58116
ChEBI Name5-methyl-5,6,7,8-tetrahydromethanopterin(3−)
Stars
ASCII Name5-methyl-5,6,7,8-tetrahydromethanopterin(3-)
DefinitionTrianion of 5-methyl-5,6,7,8-tetrahydromethanopterin arising from deprotonation of carboxy and phosphate OH groups; major species at pH 7.3.
Last Modified20 March 2014
DownloadsMolfile
FormulaC31H44N6O16P
Net Charge-3
Average Mass787.693
Monoisotopic Mass787.25679
SMILES[H][C@]1([C@@H](C)Nc2ccc(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)cc2)[C@H](C)Nc2nc(N)nc(=O)c2N1C
InChIInChI=1S/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h4-7,13-14,17-20,22,24-26,30,33,38-39,42-44H,8-12H2,1-3H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,34,35,36,45)/p-3/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1
InChIKeySWBKYDXMQNCIAW-ZQPYBXQSSA-K
ChEBI Ontology
Outgoing Relation(s)
5-methyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58116) is a dicarboxylic acid dianion (CHEBI:28965)
5-methyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58116) is a organophosphate oxoanion (CHEBI:58945)
5-methyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58116) is conjugate base of 5-methyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17349)
Incoming Relation(s)
5-methyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17349) is conjugate acid of 5-methyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58116)
IUPAC Name 
1-(4-{(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-[5-O-({[(1S)-1,3-dicarboxylatopropyl]oxy}phosphinato)-α-D-ribofuranosyl]-D-ribitol
Synonym  Source
5-methyl-5,6,7,8-tetrahydromethanopterin trianionChEBI
UniProt Name  Source
5-methyl-5,6,7,8-tetrahydromethanopterinUniProt