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CHEBI:17349 - 5-methyl-5,6,7,8-tetrahydromethanopterin

ChEBI IDCHEBI:17349
ChEBI Name5-methyl-5,6,7,8-tetrahydromethanopterin
Stars
Secondary ChEBI IDsCHEBI:2092, CHEBI:12143, CHEBI:20603
Last Modified18 March 2013
DownloadsMolfile
FormulaC31H47N6O16P
Net Charge0
Average Mass790.717
Monoisotopic Mass790.27862
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)/t13-,14+,17+,18-,19+,20-,22+,24+,25-,26-,30+/m1/s1
InChIKeySWBKYDXMQNCIAW-ZQPYBXQSSA-N
ChEBI Ontology
Outgoing Relation(s)
5-methyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17349) is a tetrahydromethanopterin (CHEBI:26914)
5-methyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17349) is conjugate acid of 5-methyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58116)
Incoming Relation(s)
5-methyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58116) is conjugate base of 5-methyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17349)
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-dicarboxypropylphosphono]-α-D-ribofuranosyl}-D-ribitol
Synonyms  Source
5-Methyl-5,6,7,8-tetrahydro-methanopterinChemIDplus
CH3-H4MPTChemIDplus
N(5)-MethyltetrahydromethanopterinChemIDplus