CHEBI:2251 - 7,8-dihydromethanopterin

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ChEBI Name 7,8-dihydromethanopterin
ChEBI ID CHEBI:2251
Definition A member of the class of methanopterins resulting from the formal hydrogenation at the 7 and 8 positions of methanopterin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000095630286
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Formula C30H43N6O16P
Net Charge 0
Average Mass 774.66680
Monoisotopic Mass 774.24732
InChI InChI=1S/C30H43N6O16P/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/h3-6,12-13,16-19,23-25,29,32,37-38,41-43H,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-,23+,24-,25-,29+/m1/s1
InChIKey WTMBWYHMZCVPRJ-WJBIZLLUSA-N
SMILES C[C@@H](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)C1=Nc2c(N[C@H]1C)nc(N)[nH]c2=O
ChEBI Ontology
Outgoing 7,8-dihydromethanopterin (CHEBI:2251) is a methanopterins (CHEBI:37669)
7,8-dihydromethanopterin (CHEBI:2251) is conjugate acid of 7,8-dihydromethanopterin(3−) (CHEBI:72788)
Incoming 7,8-dihydromethanopterin(3−) (CHEBI:72788) is conjugate base of 7,8-dihydromethanopterin (CHEBI:2251)
IUPAC Name
1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ribitol
Synonyms Sources
DHMPT MetaCyc
dihydromethanopterin MetaCyc
H2MPT MetaCyc
Manual Xrefs Databases
C05927 KEGG COMPOUND
CPD-10789 MetaCyc
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Citations Types Sources
12511515 PubMed citation Europe PMC
15028691 PubMed citation Europe PMC
Last Modified
18 March 2013