Search MNXref
 Feedback

5,10-methenyl-5,6,7,8-tetrahydromethanopterin

PropertiesImage
MNX_IDMNXM740011 Image of MNXM740011
referencechebi:58337
formulaC31H41N6O16P
global charge-2
mol weight784.669
InChIKeyRANKJVUGLXUXOL-CAFBYHECSA-L
InChIInChI=1S/C31H43N6O16P/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/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/p-2/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1
SMILESC[C@@H]1NC2=C(C(=O)NC(N)=N2)[N+]2=CN(C3=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]4O[C@H](COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]4O)C=C3)[C@H](C)[C@@H]12
MNX internals
InChI (mnx)InChI=1/C31H43N6O16P/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/h3-6,12-14,17-20,22,24-26,30,38-39,42-44H,7-11H2,1-2H3,(H6-,32,33,34,35,40,41,45,46,47,48,49)/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1 Image of MNXM740011
SMILES (mnx)[CH3:1][C@H:13]1[C@@H:22]2[C@@H:14]([CH3:2])[N+:36]([C:16]3=[CH:6][CH:4]=[C:15]([CH2:9][C@@H:17]([C@@H:24]([C@@H:18]([CH2:10][O:50][C@@H:30]4[C@H:26]([OH:44])[C@H:25]([OH:43])[C@@H:20]([CH2:11][O:51][P:54]([O-:48])(=[O:49])[O:53][C@@H:19]([CH2:7][CH2:8][C:21](=[O:40])[OH:41])[C:29](=[O:46])[OH:47])[O:52]4)[OH:39])[OH:42])[OH:38])[CH:3]=[CH:5]3)=[CH:12][N:37]2[C:23]2=[C:27]([NH:33]1)[NH:34][C:31](=[NH:32])[N:35]=[C:28]2[OH:45]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58337
chebi:58337
RANKJVUGLXUXOL-CAFBYHECSA-L 		5,10-methenyl-5,6,7,8-tetrahydromethanopterin
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-[5-O-({[(1S)-1,3-dicarboxylatopropyl]oxy}phosphinato)-alpha-D-ribofuranosyl]-D-ribitol
5,10-(methanylylidene)tetrahydromethanopterin dianion
5,10-(methanylylidene)tetrahydromethanopterin(2-)

CHEBI:17975
chebi:17975
RANKJVUGLXUXOL-CAFBYHECSA-O 		5,10-(methanylylidene)tetrahydromethanopterin
1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol
5,10-Methenyl-5,6,7,8-tetrahydromethanopterin
5,10-Methenyltetrahydromethanopterin
N5,N10-Methenyltetrahydromethanopterin

vmhM:mtth4mpt
vmhmetabolite:mtth4mpt
RANKJVUGLXUXOL-CAFBYHECSA-L 		5,10-Methenyl-5,6,7,8-tetrahydromethanopterin
VMH API:automatic:02-Jul-2022 12:51:36

seed.compound:cpd02655
seedM:cpd02655
RANKJVUGLXUXOL-CAFBYHECSA-L 		5,10-Methenyltetrahydromethanopterin
5,10-Methenyl-5,6,7,8-tetrahydromethanopterin
5,10-methenyl-5,6,7,8-tetrahydromethanopterin
5,10-methenyl-H4MPT
5,10-methenyl-tetrahydromethanopterin
5,10-methenyltetrahydromethanopterin
N5,N10-Methenyltetrahydromethanopterin
N5,N10-methenyl-5,6,7,8-tetrahydromethanopterin
N5,N10-methenyltetrahydromethanopterin
methenyl-H4MPT

kegg.compound:C04330
keggC:C04330
RANKJVUGLXUXOL-CAFBYHECSA-O 		5,10-Methenyltetrahydromethanopterin
5,10-Methenyl-5,6,7,8-tetrahydromethanopterin
N5,N10-Methenyltetrahydromethanopterin

metacyc.compound:METHENYLTETRAHYDROMETHANOPTERIN
metacycM:METHENYLTETRAHYDROMETHANOPTERIN
RANKJVUGLXUXOL-CAFBYHECSA-L 		5,10-methenyltetrahydromethanopterin
5,10-methenyl-5,6,7,8-tetrahydromethanopterin
5,10-methenyl-H4MPT
5,10-methenyl-tetrahydromethanopterin
N5,N10-methenyl-5,6,7,8-tetrahydromethanopterin
N5,N10-methenyltetrahydromethanopterin
methenyl-H4MPT

bigg.metabolite:menylh4spt
biggM:menylh4spt 		Methenyl-tetrahydrosarcinapterin

chebi:12067
chebi:12070
chebi:12647
chebi:1988
chebi:20501
biggM:M_menylh4spt
keggC:M_C04330
seedM:M_cpd02655
vmhM:M_mtth4mpt 		secondary/obsolete/fantasy identifier