Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-04-29 22:44:52 UTC
Update Date2024-04-30 20:39:32 UTC
Metabolite IDMMDBc0049856
Metabolite Identification
Common Name5,6,7,8-Tetrahydromethanopterin
Description5,6,7,8-Tetrahydromethanopterin, also known as H4MPT, belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. These are lipids containing a glycosyl moiety (one or several units) linked to the hydroxyl group of a fatty alcohol. 5,6,7,8-Tetrahydromethanopterin is an extremely strong basic compound (based on its pKa). 5,6,7,8-Tetrahydromethanopterin exists in all living organisms, ranging from bacteria to humans.
Structure
Synonyms
ValueSource
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-dicarboxypropylphosphonato]-alpha-D-ribofuranosyl}-D-ribitolChEBI
H4MPTChEBI
TetrahydromethanopterinChEBI
THMPTKegg
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-dicarboxypropylphosphonato]-a-D-ribofuranosyl}-D-ribitolGenerator
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-dicarboxypropylphosphonato]-α-D-ribofuranosyl}-D-ribitolGenerator
Molecular FormulaC30H45N6O16P
Average Mass776.6827
Monoisotopic Mass776.262965934
IUPAC Name(2S)-2-[({[(2R,3S,4R,5S)-3,4-dihydroxy-5-{[(2R,3S,4S)-2,3,4-trihydroxy-5-(4-{[(1R)-1-[(6S,7S)-4-hydroxy-2-imino-7-methyl-1,2,5,6,7,8-hexahydropteridin-6-yl]ethyl]amino}phenyl)pentyl]oxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
Traditional Name(2S)-2-({[(2R,3S,4R,5S)-3,4-dihydroxy-5-{[(2R,3S,4S)-2,3,4-trihydroxy-5-(4-{[(1R)-1-[(6S,7S)-4-hydroxy-2-imino-7-methyl-5,6,7,8-tetrahydro-1H-pteridin-6-yl]ethyl]amino}phenyl)pentyl]oxy}oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)pentanedioic acid
CAS Registry NumberNot Available
SMILES
C[C@@H](NC1=CC=C(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)C=C1)[C@@H]1NC2=C(N[C@H]1C)NC(=N)N=C2O
InChI Identifier
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)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1
InChI KeySCBIBGUJSMHIAI-LHIIQLEZSA-N