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CHEBI:2251 - 7,8-dihydromethanopterin

Default Structure
ChEBI IDCHEBI:2251
ChEBI Name7,8-dihydromethanopterin
Stars
DefinitionA member of the class of methanopterins resulting from the formal hydrogenation at the 7 and 8 positions of methanopterin.
Last Modified18 March 2013
DownloadsMolfile
FormulaC30H43N6O16P
Net Charge0
Average Mass774.674
Monoisotopic Mass774.24732
SMILESC[C@@H]1Nc2nc(N)nc(=O)c2N=C1[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
InChIInChI=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
InChIKeyWTMBWYHMZCVPRJ-WJBIZLLUSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
DHMPTMetaCyc
dihydromethanopterinMetaCyc
H2MPTMetaCyc
Manual XrefsDatabases
C05927KEGG COMPOUND
CPD-10789MetaCyc
Citations