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L-arogenate

PropertiesImage
MNX_IDMNXM696 Image of MNXM696
referencechebi:58180
formulaC10H12NO5
global charge-1
mol weight226.208
InChIKeyMIEILDYWGANZNH-DSQUFTABSA-M
InChIInChI=1S/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/p-1/t6?,7-,10?/m0/s1
SMILES[NH3+][C@@H](CC1(C(=O)[O-])C=CC(O)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)/t6?,7-,10?/m0/s1 Image of MNXM696
SMILES (mnx)[CH:1]1=[CH:3][C:10]([CH2:5][C@@H:7]([C:8](=[O:13])[OH:14])[NH2:11])([C:9](=[O:15])[OH:16])[CH:4]=[CH:2][CH:6]1[OH:12]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 9
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58180
chebi:58180
MIEILDYWGANZNH-DSQUFTABSA-M
L-arogenate
1-[(2S)-2-azaniumyl-2-carboxylatoethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylate
L-arogenate anion
L-arogenate(1-)

bigg.metabolite:Largn
biggM:Largn
L-Arogenate

sabiork.compound:5256
sabiorkM:5256
kegg.compound:C00826
keggC:C00826
MIEILDYWGANZNH-DSQUFTABSA-N
MIEILDYWGANZNH-UHFFFAOYSA-N
L-Arogenate
L-Arogenic acid
Pretyrosine

vmhM:Largn
vmhmetabolite:Largn
MIEILDYWGANZNH-DSQUFTABSA-M
L-Arogenate
VMH API:automatic:02-Jul-2022 07:19:41
hmdb:HMDB0304400
MIEILDYWGANZNH-UHFFFAOYSA-M
L-arogenate
1-(2-ammonio-2-carboxylatoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
1-(2-azaniumyl-2-carboxylatoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate
2-Amino-3-(1-carboxy-4-hydroxycyclohexa-2,5-dien-1-yl)propanoic acid
L-Arogenic acid

metacyc.compound:CPD-659
metacycM:CPD-659
MIEILDYWGANZNH-DSQUFTABSA-M
L-arogenate
L-arogenic acid
pretyrosine

CHEBI:17530
chebi:17530
MIEILDYWGANZNH-DSQUFTABSA-N
L-arogenic acid
1-[(2S)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
L-Arogenate
L-Arogenic acid
Pretyrosine
alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
hmdb:HMDB0304809
MIEILDYWGANZNH-DSQUFTABSA-N
Pretyrosine
1-[(2S)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
Arogenate
L-Arogenate
L-Arogenic acid
a-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoate
a-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoate
alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
alpha-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoate
alpha-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
arogenate

seed.compound:cpd00616
seedM:cpd00616
MIEILDYWGANZNH-DSQUFTABSA-M
Pretyrosine
CPD-659
L-Arogenate
L-Arogenic acid
L-arogenate
L-arogenic acid
pretyrosine

CHEBI:21239
chebi:21239
MIEILDYWGANZNH-UHFFFAOYSA-N
arogenic acid
1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid
alpha-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid
pretyrosine

chebi:13081
chebi:21238
chebi:6190
biggM:M_Largn
keggC:M_C00826
seedM:M_cpd00616
vmhM:M_Largn
secondary/obsolete/fantasy identifier