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5,10-methylenetetrahydromethanopterin

MNXM667 is deprecated and here replaced by MNXM1103747
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1103747 Image of MNXM1103747
referencechebi:57818
formulaC31H42N6O16P
global charge-3
mol weight785.677
InChIKeyGBMIGEWJAPFSQI-CAFBYHECSA-K
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)/p-3/t13-,14+,17-,18+,19-,20+,22+,24-,25+,26+,30-/m0/s1
SMILESC[C@@H]1NC2=C(C(=O)NC(N)=N2)N2CN(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/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 Image of MNXM1103747
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]([OH: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)[CH2:12][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)18
in models (compartimentalized) 7
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57818
chebi:57818
GBMIGEWJAPFSQI-CAFBYHECSA-K 		5,10-methylenetetrahydromethanopterin
1-{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}-1-deoxy-5-O-[5-O-({[(1S)-1,3-dicarboxylatopropyl]oxy}phosphinato)-alpha-D-ribofuranosyl]-D-ribitol
5,10-methylenetetrahydromethanopterin trianion
5,10-methylenetetrahydromethanopterin(3-)
hmdb:HMDB0060401
GBMIGEWJAPFSQI-CAFBYHECSA-N 		5,10-Methylenetetrahydromethanopterin
(2S)-2-({[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-{4-[(6S,6aR,7R)-1-hydroxy-3-imino-6,7-dimethyl-4H,5H,6H,6aH,7H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)pentanedioic acid
(2S)-2-[({[(2R,3S,4R,5S)-5-{[(2R,3S,4S)-5-{4-[(6S,6aR,7R)-1-hydroxy-3-imino-6,7-dimethyl-3H,4H,5H,6H,6aH,7H,8H,9H-imidazolidino[1,5-f]pteridin-8-yl]phenyl}-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
N5,N10-Methylenetetrahydromethanopterin

seed.compound:cpd02679
seedM:cpd02679
GBMIGEWJAPFSQI-CAFBYHECSA-K 		5,10-Methylenetetrahydromethanopterin
5,10-methylene-5,6,7,8-tetrahydromethanopterin
5,10-methylene-H4MPT
5,10-methylene-tetrahydromethanopterin
N5,N10-Methylenetetrahydromethanopterin
N5,N10-methylene-5,6,7,8-tetrahydromethanopterin
N5,N10-methylenetetrahydromethanopterin
methylene-H4MPT

sabiork.compound:7269
sabiorkM:7269
kegg.compound:C04377
keggC:C04377
GBMIGEWJAPFSQI-CAFBYHECSA-N 		5,10-Methylenetetrahydromethanopterin
N5,N10-Methylenetetrahydromethanopterin

metacyc.compound:METHYLENETETRAHYDROMETHANOPTERIN
metacycM:METHYLENETETRAHYDROMETHANOPTERIN
GBMIGEWJAPFSQI-CAFBYHECSA-K 		5,10-methylene-tetrahydromethanopterin
5,10-methylene-5,6,7,8-tetrahydromethanopterin
5,10-methylene-H4MPT
N5,N10-methylene-5,6,7,8-tetrahydromethanopterin
N5,N10-methylenetetrahydromethanopterin
methylene-H4MPT

CHEBI:16568
chebi:16568
GBMIGEWJAPFSQI-CAFBYHECSA-N 		5,10-methylenetetrahydromethanopterin
1-{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}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol
5,10-Methylenetetrahydromethanopterin
N5,N10-Methylenetetrahydromethanopterin

hmdb:HMDB60401
chebi:12072
chebi:12648
chebi:1990
chebi:20504
keggC:M_C04377
seedM:M_cpd02679 		secondary/obsolete/fantasy identifier