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tetrahydropteroyltri-L-glutamate

PropertiesImage
MNX_IDMNXM1103841 Image of MNXM1103841
referencechebi:58140
formulaC29H33N9O12
global charge 
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)[cH:1]1[cH:3][c:14]([NH:31][CH2:11][C@H:15]2[CH2:12][NH:32][c:23]3[c:22]([c:25](=[O:44])[nH:38][c:29]([NH2:30])[n:37]3)[NH:33]2)[cH:4][cH:2][c:13]1[C:24]([NH:36][C@@H:18]([CH2:6][CH2:9][C:20]([NH:34][C@@H:16]([CH2:5][CH2:8][C:19]([NH:35][C@@H:17]([CH2:7][CH2:10][C:21]([OH:41])=[O:42])[C:27]([OH:47])=[O:48])=[O:39])[C:26]([OH:45])=[O:46])=[O:40])[C:28](=[O:49])[OH:50])=[O:43]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 4
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
RXWVHRYZTWZATH-XSLAGTTESA-N 		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