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5,6,7,8-tetrahydromethanopterin

PropertiesImage
MNX_IDMNXM1103753 Image of MNXM1103753
referencechebi:58103
formulaC30H42N6O16P
global charge-3
mol weight773.666
InChIKeySCBIBGUJSMHIAI-LHIIQLEZSA-K
InChIInChI=1S/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/p-3/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1
SMILESC[C@@H]1NC2=C(N[C@H]1[C@@H](C)NC1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(=O)([O-])O[C@@H](CCC(=O)[O-])C(=O)[O-])[C@@H](O)[C@H]3O)C=C1)C(=O)NC(N)=N2
MNX internals
InChI (mnx)InChI=1/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12-13,16-19,21,23-25,29,32,34,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H4,31,33,35,36,44)/t12-,13+,16+,17-,18+,19-,21+,23+,24-,25-,29+/m1/s1 Image of MNXM1103753
SMILES (mnx)[CH3:1][C@H:12]([C@H:21]1[C@H:13]([CH3:2])[NH:33][C:26]2=[C:22]([C:27]([OH:44])=[N:36][C:30](=[NH:31])[NH:35]2)[NH:34]1)[NH:32][C:15]1=[CH:6][CH:4]=[C:14]([CH2:9][C@@H:16]([C@@H:23]([C@@H:17]([CH2:10][O:49][C@@H:29]2[C@H:25]([OH:43])[C@H:24]([OH:42])[C@@H:19]([CH2:11][O:50][P:53]([OH:47])(=[O:48])[O:52][C@@H:18]([CH2:7][CH2:8][C:20](=[O:39])[OH:40])[C:28](=[O:45])[OH:46])[O:51]2)[OH:38])[OH:41])[OH:37])[CH:3]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)29
in models (compartimentalized) 13
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58103
chebi:58103
SCBIBGUJSMHIAI-LHIIQLEZSA-K 		5,6,7,8-tetrahydromethanopterin
1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-[5-O-({[(1S)-1,3-dicarboxylatopropyl]oxy}phosphinato)-alpha-D-ribofuranosyl]-D-ribitol
5,6,7,8-tetrahydromethanopterin trianion
5,6,7,8-tetrahydromethanopterin(3-)
hmdb:HMDB0060403
SCBIBGUJSMHIAI-LHIIQLEZSA-N 		5,6,7,8-Tetrahydromethanopterin
(2S)-2-({[(2R,3S,4R,5S)-3,4-dihydroxy-5-{[(2R,3S,4S)-2,3,4-trihydroxy-5-(4-{[(1R)-1-[(6S,7S)-4-hydroxy-2-imino-7-methyl-5,6,7,8-tetrahydro-1H-pteridin-6-yl]ethyl]amino}phenyl)pentyl]oxy}oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy)pentanedioic acid
(2S)-2-[({[(2R,3S,4R,5S)-3,4-dihydroxy-5-{[(2R,3S,4S)-2,3,4-trihydroxy-5-(4-{[(1R)-1-[(6S,7S)-4-hydroxy-2-imino-7-methyl-1,2,5,6,7,8-hexahydropteridin-6-yl]ethyl]amino}phenyl)pentyl]oxy}oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]pentanedioic acid
1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphonato]-a-D-ribofuranosyl}-D-ribitol
1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphonato]-alpha-D-ribofuranosyl}-D-ribitol
H4MPT
THMPT
Tetrahydromethanopterin

sabiork.compound:5452
sabiorkM:5452
SCBIBGUJSMHIAI-LHIIQLEZSA-N 		5,6,7,8-Tetrahydromethanopterin
H4MPT

kegg.compound:C01217
keggC:C01217
SCBIBGUJSMHIAI-LHIIQLEZSA-N 		5,6,7,8-Tetrahydromethanopterin
H4MPT
THMPT
Tetrahydromethanopterin

vmhM:h4mpt
vmhmetabolite:h4mpt
SCBIBGUJSMHIAI-LHIIQLEZSA-K 		5,6,7,8-tetrahydromethanopterin
(2S)-2-[({[(2R,3S,4R,5S)-3,4-dihydroxy-5-{[(2R,3S,4S)-2,3,4-trihydroxy-5-(4-{[(1R)-1-[(6S,7S)-4-hydroxy-2-imino-7-methyl-1,2,5,6,7,8-hexahydropteridin-6-yl]ethyl]amino}phenyl)pentyl]

CHEBI:17321
chebi:17321
SCBIBGUJSMHIAI-LHIIQLEZSA-N 		5,6,7,8-tetrahydromethanopterin
1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphonato]-alpha-D-ribofuranosyl}-D-ribitol
1-(4-{(1R)-1-[(6S,7S)-2-amino-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]-alpha-D-ribofuranosyl}-D-ribitol
5,6,7,8-Tetrahydromethanopterin
H4MPT
Pentitol, 1-(4-((1-(2-amino-1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-, (16alpha)-
tetrahydromethanopterin

seed.compound:cpd00895
seedM:cpd00895
SCBIBGUJSMHIAI-LHIIQLEZSA-K 		H4MPT
5,6,7,8-Tetrahydromethanopterin
5,6,7,8-tetrahydromethanopterin
THMPT
Tetrahydromethanopterin
h4mpt
tetrahydromethanopterin

metacyc.compound:THMPT
metacycM:THMPT
SCBIBGUJSMHIAI-LHIIQLEZSA-K 		tetrahydromethanopterin
5,6,7,8-tetrahydromethanopterin
H4MPT
THMPT

hmdb:HMDB60403
chebi:12076
chebi:1992
keggC:M_C01217
seedM:M_cpd00895
vmhM:M_h4mpt 		secondary/obsolete/fantasy identifier