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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N5-formyl-5,6,7,8-tetrahydromethanopterin
ChEBI ID CHEBI:17114
ChEBI ASCII Name N(5)-formyl-5,6,7,8-tetrahydromethanopterin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:43134, CHEBI:7398, CHEBI:12652, CHEBI:21846
Supplier Information
Download Molfile XML SDF
Formula C31H45N6O17P
Net Charge 0
Average Mass 804.69300
Monoisotopic Mass 804.25788
InChI InChI=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
InChIKey RMPHWTMYCVTPKB-QZQIFXBMSA-N
SMILES [H][C@](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)C1N(C=O)c2c(N[C@@]1([H])C)nc(N)[nH]c2=O
ChEBI Ontology
Outgoing 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 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 Sources
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}PENTITOL PDBeChem
5-formyl-5,6,7,8-tetrahydromethanopterin ChEBI
5-Formyl-5,6,7,8-tetrahydromethanopterin KEGG COMPOUND
5-Formyl-H4MPT KEGG COMPOUND
N(5)-Formyltetrahydromethanopterin ChemIDplus
N5-formyl-5,6,7,8-tetrahydromethanopterin ChEBI
Manual Xrefs Databases
C01274 KEGG COMPOUND
H4Z PDBeChem
View more database links
Registry Numbers Types Sources
99451-79-3 CAS Registry Number KEGG COMPOUND
99451-79-3 CAS Registry Number ChemIDplus
Last Modified
04 August 2014