EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:17114 - N5-formyl-5,6,7,8-tetrahydromethanopterin

ChEBI IDCHEBI:17114
ChEBI NameN5-formyl-5,6,7,8-tetrahydromethanopterin
Stars
ASCII NameN(5)-formyl-5,6,7,8-tetrahydromethanopterin
Secondary ChEBI IDsCHEBI:7398, CHEBI:12652, CHEBI:21846, CHEBI:43134
Last Modified3 August 2014
DownloadsMolfile
FormulaC31H45N6O17P
Net Charge0
Average Mass804.700
Monoisotopic Mass804.25788
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)/t13-,14+,17+,18-,19+,20-,22?,24+,25-,26-,30+/m1/s1
InChIKeyRMPHWTMYCVTPKB-QZQIFXBMSA-N
ChEBI Ontology
Outgoing Relation(s)
N5-formyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17114) is a tetrahydromethanopterin (CHEBI:26914)
N5-formyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17114) is conjugate acid of N5-formyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58018)
Incoming Relation(s)
N5-formyl-5,6,7,8-tetrahydromethanopterin(3−) (CHEBI:58018) is conjugate base of N5-formyl-5,6,7,8-tetrahydromethanopterin (CHEBI:17114)
IUPAC Name 
1-(4-{(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphono]-α-D-ribofuranosyl}-D-ribitol
Synonyms  Source
N5-formyl-5,6,7,8-tetrahydromethanopterinChEBI
5-formyl-5,6,7,8-tetrahydromethanopterinChEBI
5-Formyl-5,6,7,8-tetrahydromethanopterinKEGG COMPOUND
5-Formyl-H4MPTKEGG COMPOUND
N(5)-FormyltetrahydromethanopterinChemIDplus
5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOLPDBeChem
Manual XrefsDatabases
C01274KEGG COMPOUND
H4ZPDBeChem
Registry NumbersSources
CAS:99451-79-3KEGG COMPOUND
CAS:99451-79-3ChemIDplus