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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5,6,7,8-tetrahydromethanopterin(3−)
ChEBI ID CHEBI:58103
ChEBI ASCII Name 5,6,7,8-tetrahydromethanopterin(3-)
Definition Trianion of 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 No supplier information found for this compound.
Download Molfile XML SDF
Formula C30H42N6O16P
Net Charge -3
Average Mass 773.65880
Monoisotopic Mass 773.24114
InChI InChI=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
InChIKey SCBIBGUJSMHIAI-LHIIQLEZSA-K
SMILES [H][C@]1(Nc2c(N[C@H]1C)nc(N)[nH]c2=O)[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]2O)cc1
ChEBI Ontology
Outgoing 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 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
Synonyms Sources
5,6,7,8-tetrahydromethanopterin UniProt
5,6,7,8-tetrahydromethanopterin trianion ChEBI
Last Modified
20 March 2014