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5-methyltetrahydropteroyltri-L-glutamate

PropertiesImage
MNX_IDMNXM1584583 Image of MNXM1584583
referencechebi:58207
formulaC30H35N9O12
global charge-4
mol weight713.661
InChIKeyHVRNKDVLFAVCJF-VJANTYMQSA-J
InChIInChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/p-4/t16-,17-,18-,19-/m0/s1
SMILESCN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])cc1
MNX internals
InChI (mnx)InChI=1/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1 Image of MNXM1584583
SMILES (mnx)[CH2:1]1[C:2]([CH3:11])=[CH:3][C:4]2=[C:5]([C:6]1=[CH2:21])[CH:10]([CH3:20])[C@@H:9]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([C:22]([CH2:23][C@H:24]([CH2:26][CH2:27][C:28]([CH2:29][C@H:30]([NH:31][NH:35][N:36]([NH:37][N:38]([NH:39][O:42][O:43]([OH:44])=[O:45])[O:41]([OH:48])=[O:49])=[O:40])[N:34]([OH:50])=[O:51])=[NH:33])[N:32](=[O:46])[OH:47])=[CH2:25])[cH:18][cH:19]1)[CH2:8][CH2:7]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58207
chebi:58207
HVRNKDVLFAVCJF-VJANTYMQSA-J 		5-methyltetrahydropteroyltri-L-glutamate
5-methyltetrahydropteroyltri-L-glutamate tetraanion
5-methyltetrahydropteroyltri-L-glutamate(4-)

vmhM:M01114
vmhM:M01114
vmhmetabolite:M01114
vmhmetabolite:M01114
HVRNKDVLFAVCJF-VJANTYMQSA-N 		5-Methyltetrahydropteroyltri-L-Glutamate
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

kegg.compound:C04489
keggC:C04489
HVRNKDVLFAVCJF-VJANTYMQSA-N 		5-Methyltetrahydropteroyltri-L-glutamate

seed.compound:cpd02738
seedM:cpd02738
HVRNKDVLFAVCJF-VJANTYMQSA-J 		5-Methyltetrahydropteroyltri-L-glutamate
5-methyltetrahydropteroyl tri-L-glutamate
5-methyltetrahydropteroyltri-L-glutamate
N5-methyl--H4PteGlu3
N5-methyltetrahydropteroyl tri-L-glutamate
mhpglu
hmdb:HMDB0012177
HVRNKDVLFAVCJF-VJANTYMQSA-N 		5-Methyltetrahydropteroyltri-L-glutamic acid
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
5-Methyl-5,6,7,8-tetrahydropteroyl tri-gamma-L-glutamate
5-Methyltetrahydrofolate triglutamate
5-Methyltetrahydropteroyl-gamma-glutamyl-gamma-glutamylglutamic acid
5-Methyltetrahydropteroyltri-L-glutamate

metacyc.compound:CPD-1302
metacycM:CPD-1302
HVRNKDVLFAVCJF-VJANTYMQSA-J 		5-methyltetrahydropteroyl tri-L-glutamate
N5-methyl--H4PteGlu3
N5-methyltetrahydropteroyl tri-L-glutamate

CHEBI:17614
chebi:17614
HVRNKDVLFAVCJF-VJANTYMQSA-N 		5-methyltetrahydropteroyltri-L-glutamic acid
5-Methyltetrahydropteroyltri-L-glutamate
N-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid

vmhM:5mthglu
vmhM:5mthglu
vmhmetabolite:5mthglu
vmhmetabolite:5mthglu
HVRNKDVLFAVCJF-VJANTYMQSA-N 		5_Methyltetrahydropteroyltri_L_glutamate

hmdb:HMDB12177
chebi:12147
chebi:20613
chebi:2099
keggC:M_C04489
seedM:M_cpd02738
vmhM:M_5mthglu
vmhM:M_M01114 		secondary/obsolete/fantasy identifier