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tetrahydropteroyltri-L-glutamate

PropertiesImage
MNX_IDMNXM1103841 Image of MNXM1103841
referencechebi:58140
formulaC29H33N9O12
global charge-4
mol weight699.634
InChIKeyRXWVHRYZTWZATH-XSLAGTTESA-J
InChIInChI=1S/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/p-4/t15-,16-,17-,18-/m0/s1
SMILESNc1nc2c(c(=O)[nH]1)N[C@@H](CNc1ccc(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)CN2
MNX internals
InChI (mnx)InChI=1/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/t15-,16-,17-,18-/m0/s1 Image of MNXM1103841
SMILES (mnx)[CH2:1]1[C:2]([CH3:11])=[CH:3][C:4]2=[C:5]([C:6]1=[CH2:20])[CH2:10][C@H:9]([CH2:12][CH2:13][c:14]1[cH:15][cH:16][c:17]([C:21]([CH2:22][C@@H:23]([CH2:25][CH2:26][C:27]([CH2:28][C@@H:29]([NH:30][NH:34][N:35]([NH:36][N:37]([NH:38][O:41][O:42]([OH:43])=[O:44])[O:40]([OH:47])=[O:48])=[O:39])[N:33]([OH:49])=[O:50])=[NH:32])[N:31](=[O:45])[OH:46])=[CH2:24])[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)10
in models (compartimentalized) 5
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58140
chebi:58140
RXWVHRYZTWZATH-XSLAGTTESA-J 		tetrahydropteroyltri-L-glutamate
tetrahydropteroyltri-L-glutamate tetraanion
tetrahydropteroyltri-L-glutamate(4-)

sabiork.compound:31044
sabiorkM:31044
RXWVHRYZTWZATH-XSLAGTTESA-J 		Tetrahydropteroyl tri-L-glutamate
H4PteGlu3

bigg.metabolite:hpglu
biggM:hpglu
RXWVHRYZTWZATH-XSLAGTTESA-J 		Tetrahydropteroyltri L glutamate

vmhM:M02979
vmhM:M02979
vmhmetabolite:M02979
vmhmetabolite:M02979
RXWVHRYZTWZATH-XSLAGTTESA-N 		Tetrahydropteroyltri-L-Glutamate
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

kegg.compound:C04144
keggC:C04144
RXWVHRYZTWZATH-XSLAGTTESA-N 		Tetrahydropteroyltri-L-glutamate
(6S)-H4PteGlu3

seed.compound:cpd02555
seedM:cpd02555
RXWVHRYZTWZATH-XSLAGTTESA-J 		Tetrahydropteroyltri-L-glutamate
(6S)-H4PteGlu3
hpglu
tetrahydropteroyltriglutamate

vmhM:hpglu
vmhM:hpglu
vmhmetabolite:hpglu
vmhmetabolite:hpglu 		Tetrahydropteroyltri-L-glutamate
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
hmdb:HMDB0012290
RXWVHRYZTWZATH-XSLAGTTESA-N 		Tetrahydropteroyltri-L-glutamic acid
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-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-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid
(6S)-H4PteGlu3
Tetrahydropteroyl tri-L-glutamate
Tetrahydropteroyl tri-L-glutamic acid
Tetrahydropteroyltri-L-glutamate
Tetrahydropteroyltri-gamma-glutamic acid

vmhM:thglu
vmhM:thglu
vmhmetabolite:thglu
vmhmetabolite:thglu
RXWVHRYZTWZATH-XSLAGTTESA-N 		Tetrahydropteroyltri_L_glutamate
(2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid

metacyc.compound:CPD-1301
metacycM:CPD-1301
seed.compound:cpd23695
seedM:cpd23695
RXWVHRYZTWZATH-XSLAGTTESA-J 		tetrahydropteroyl tri-L-glutamate
H4PteGlu3

CHEBI:17420
chebi:17420
RXWVHRYZTWZATH-XSLAGTTESA-N 		tetrahydropteroyltri-L-glutamic acid
N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid
Tetrahydropteroyltri-L-glutamate

hmdb:HMDB12290
chebi:15224
chebi:26919
chebi:9489
biggM:M_hpglu
keggC:M_C04144
seedM:M_cpd02555
seedM:M_cpd23695
vmhM:M_M02979
vmhM:M_hpglu
vmhM:M_thglu 		secondary/obsolete/fantasy identifier