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CHEBI:42985 - 5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN

Default Structure
ChEBI IDCHEBI:42985
ChEBI Name5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC31H45N6O16P
Net Charge0
Average Mass788.701
Monoisotopic Mass788.26297
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(O[P@](=O)(O[H])OC([H])([H])[C@@]1([H])O[C@]([H])(OC([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])C([H])([H])c2c([H])c([H])c(N3C([H])([H])N4c5c(nc(N([H])[H])n([H])c5=O)N([H])[C@@]([H])(C([H])([H])[H])[C@]4([H])[C@@]3([H])C([H])([H])[H])c([H])c2[H])[C@]([H])(O[H])[C@]1([H])O[H])C(=O)O[H]
InChIInChI=1S/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)41/h3-6,13-14,17-20,22,24-26,30,38-39,42-44H,7-12H2,1-2H3,(H,40,41)(H,46,47)(H,48,49)(H4,32,33,34,35,45)/t13-,14+,17-,18-,19-,20+,22+,24-,25+,26+,30-/m0/s1
InChIKeyGBMIGEWJAPFSQI-QHFPFIAOSA-N
ChEBI Ontology
Outgoing Relation(s)
5,10-DIMETHYLENE TETRAHYDROMETHANOPTERIN (CHEBI:42985) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5,10-DIMETHYLENE TETRAHYDROMETHANOPTERINPDBeChem
5-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-5-deoxy-1-O-{5-O-[(R)-(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-L-arabinitolPDBeChem
Manual XrefsDatabases
H4MPDBeChem