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

ChEBI IDCHEBI:72788
ChEBI Name7,8-dihydromethanopterin(3−)
Stars
ASCII Name7,8-dihydromethanopterin(3-)
DefinitionA 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.
Last Modified19 March 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC30H40N6O16P
Net Charge-3
Average Mass771.650
Monoisotopic Mass771.22549
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)/p-3/t12-,13+,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1
InChIKeyWTMBWYHMZCVPRJ-WJBIZLLUSA-K
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
dihydromethanopterin(3−)ChEBI
DHMPT(3−)ChEBI
H2MPT(3−)ChEBI
UniProt Name  Source
7,8-dihydromethanopterinUniProt
Manual XrefsDatabases
CPD-10789MetaCyc
Citations