CHEBI:17321 - 5,6,7,8-tetrahydromethanopterin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5,6,7,8-tetrahydromethanopterin
ChEBI ID CHEBI:17321
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12076, CHEBI:1992
Supplier Information
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Formulae C30H45N6O16P
C30H45N6O16P
Net Charge 0
Average Mass 776.68270
Monoisotopic Mass 776.26297
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)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1
InChIKey SCBIBGUJSMHIAI-LHIIQLEZSA-N
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 (CHEBI:17321) is a tetrahydromethanopterin (CHEBI:26914)
5,6,7,8-tetrahydromethanopterin (CHEBI:17321) is conjugate acid of 5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58103)
Incoming 5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58103) is conjugate base of 5,6,7,8-tetrahydromethanopterin (CHEBI:17321)
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-dicarboxypropylphosphono]-α-D-ribofuranosyl}-D-ribitol
Synonyms Sources
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-ribitol IUBMB
5,6,7,8-Tetrahydromethanopterin KEGG COMPOUND
H4MPT KEGG COMPOUND
Pentitol, 1-(4-((1-(2-amino-1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-, (16alpha)- ChemIDplus
tetrahydromethanopterin IUBMB
Manual Xref Database
C01217 KEGG COMPOUND
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Registry Numbers Types Sources
92481-94-2 CAS Registry Number KEGG COMPOUND
92481-94-2 CAS Registry Number ChemIDplus
Last Modified
18 March 2013