CHEBI:72788 - 7,8-dihydromethanopterin(3−)

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ChEBI Name 7,8-dihydromethanopterin(3−) ChEBI ID CHEBI:72788 ChEBI ASCII Name 7,8-dihydromethanopterin(3-) Definition A carboxylic acid trianion resulting from the deprotonation of the phosphate group and both carboxy groups of 7,8-dihydromethanopterin. The major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C30H40N6O16P Net Charge -3 Average Mass 771.64300 Monoisotopic Mass 771.22549 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)/p-3/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1 InChIKey WTMBWYHMZCVPRJ-WJBIZLLUSA-K 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(3−) (CHEBI:72788) is a carboxylic acid trianion (CHEBI:38717) 7,8-dihydromethanopterin(3−) (CHEBI:72788) is a organophosphate oxoanion (CHEBI:58945) 7,8-dihydromethanopterin(3−) (CHEBI:72788) is conjugate base of 7,8-dihydromethanopterin (CHEBI:2251) Incoming 7,8-dihydromethanopterin (CHEBI:2251) is conjugate acid of 7,8-dihydromethanopterin(3−) (CHEBI:72788) IUPAC Name 1-[4-({(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxylatopropoxy]phosphinato}-α-D-ribofuranosyl)-D-ribitol Synonyms Sources 7,8-dihydromethanopterin UniProt DHMPT(3−) ChEBI dihydromethanopterin(3−) ChEBI H2MPT(3−) ChEBI Manual Xref Database CPD-10789 MetaCyc View more database links Citations Types Sources 12511525 PubMed citation Europe PMC 15028691 PubMed citation Europe PMC Last Modified 19 March 2013