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CHEBI:58103 - 5,6,7,8-tetrahydromethanopterin(3−)

ChEBI IDCHEBI:58103
ChEBI Name5,6,7,8-tetrahydromethanopterin(3−)
Stars
ASCII Name5,6,7,8-tetrahydromethanopterin(3-)
DefinitionTrianion of 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
FormulaC30H42N6O16P
Net Charge-3
Average Mass773.666
Monoisotopic Mass773.24114
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)Nc2c(nc(N)nc2=O)N[C@H]1C
InChIInChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/p-3/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1
InChIKeySCBIBGUJSMHIAI-LHIIQLEZSA-K
ChEBI Ontology
Outgoing Relation(s)
5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58103) is a dicarboxylic acid dianion (CHEBI:28965)
5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58103) is a organophosphate oxoanion (CHEBI:58945)
5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58103) is conjugate base of 5,6,7,8-tetrahydromethanopterin (CHEBI:17321)
Incoming Relation(s)
5,6,7,8-tetrahydromethanopterin (CHEBI:17321) is conjugate acid of 5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58103)
IUPAC Name 
1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-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
5,6,7,8-tetrahydromethanopterin trianionChEBI
UniProt Name  Source
5,6,7,8-tetrahydromethanopterinUniProt