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

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ChEBI Name 5-methyl-5,6,7,8-tetrahydromethanopterin(3−)
ChEBI ID CHEBI:58116
ChEBI ASCII Name 5-methyl-5,6,7,8-tetrahydromethanopterin(3-)
Definition Trianion of 5-methyl-5,6,7,8-tetrahydromethanopterin arising from deprotonation of carboxy and phosphate OH groups; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C31H44N6O16P
Net Charge -3
Average Mass 787.68540
Monoisotopic Mass 787.255
InChI InChI=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
InChIKey SWBKYDXMQNCIAW-ZQPYBXQSSA-K
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)[nH]c(=O)c2N1C
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
5-methyl-5,6,7,8-tetrahydromethanopterin UniProt
5-methyl-5,6,7,8-tetrahydromethanopterin trianion ChEBI
Last Modified
20 March 2014