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CHEBI:58018 - N5-formyl-5,6,7,8-tetrahydromethanopterin(3−)

ChEBI IDCHEBI:58018
ChEBI NameN5-formyl-5,6,7,8-tetrahydromethanopterin(3−)
Stars
ASCII NameN(5)-formyl-5,6,7,8-tetrahydromethanopterin(3-)
DefinitionTrianion of N5-formyl-5,6,7,8-tetrahydromethanopterin arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3.
Last Modified10 July 2015
DownloadsMolfile
FormulaC31H42N6O17P
Net Charge-3
Average Mass801.676
Monoisotopic Mass801.23605
SMILES[H][C@](O)([C@@]([H])(O)Cc1ccc(N[C@]([H])(C)C2N(C=O)c3c(nc(N)nc3=O)N[C@@]2([H])C)cc1)[C@]([H])(O)CO[C@H]1O[C@H](COP(=O)([O-])O[C@@]([H])(CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/p-3/t13-,14+,17+,18-,19+,20-,22?,24+,25-,26-,30+/m1/s1
InChIKeyRMPHWTMYCVTPKB-QZQIFXBMSA-K
ChEBI Ontology
Outgoing Relation(s)
N5-formyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58018) is a dicarboxylic acid dianion (CHEBI:28965)
N5-formyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58018) is a organophosphate oxoanion (CHEBI:58945)
N5-formyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58018) is conjugate base of N5-formyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17114)
Incoming Relation(s)
N5-formyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17114) is conjugate acid of N5-formyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58018)
IUPAC Name 
1-[4-({(1R)-1-[(7S)-2-amino-5-formyl-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-dicarboxylatopropyl]oxy}phosphinato)-α-D-ribofuranosyl]-D-ribitol
Synonym  Source
N5-formyl-5,6,7,8-tetrahydromethanopterin trianionChEBI
UniProt Name  Source
N5-formyl-5,6,7,8-tetrahydromethanopterinUniProt