Search MNXref
 Feedback

beta-citrylglutamate

MNXM43787 is deprecated and here replaced by MNXM736093
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736093 Image of MNXM736093
referencechebi:76942
formulaC11H11NO10
global charge-4
mol weight317.206
InChIKeyGAQNUGISBQJMKO-YFKPBYRVSA-J
InChIInChI=1S/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/p-4/t5-/m0/s1
SMILESO=C([O-])CC[C@H](NC(=O)C(O)(CC(=O)[O-])CC(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C11H15NO10/c13-6(14)2-1-5(9(19)20)12-10(21)11(22,3-7(15)16)4-8(17)18/h5,22H,1-4H2,(H,12,21)(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-/m0/s1 Image of MNXM736093
SMILES (mnx)[CH2:1]([CH2:2][C:6](=[O:13])[OH:14])[C@@H:5]([C:9](=[O:19])[OH:20])[N:12]=[C:10]([C:11]([CH2:3][C:7](=[O:15])[OH:16])([CH2:4][C:8](=[O:17])[OH:18])[OH:22])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76942
chebi:76942
GAQNUGISBQJMKO-YFKPBYRVSA-J 		beta-citrylglutamate
3-{[(1S)-1,3-dicarboxylatopropyl]carbamoyl}-3-hydroxypentanedioate
beta-citrylglutamate(4-)
hmdb:HMDB0241915
GAQNUGISBQJMKO-YFKPBYRVSA-J 		N-Nervonoyl Valine
(2S)-2-{[3-carboxy-2-(carboxymethyl)-1,2-dihydroxypropylidene]amino}pentanedioate
b-Citrylglutamate
b-Citrylglutamate(4-)
b-Citrylglutamic acid
b-Citrylglutamic acid(4-)
beta-Citryl-L-glutamate
beta-Citryl-L-glutamic acid
beta-Citrylglutamate
beta-Citrylglutamic acid
beta-Citrylglutamic acid(4-)
beta-Citrylglutamic acid, (S)-isomer
beta-citrylglutamate
beta-citrylglutamate(4-)
beta-citrylglutamic acid
beta-citrylglutamic acid(4-)

kegg.compound:C20775
keggC:C20775
GAQNUGISBQJMKO-YFKPBYRVSA-N 		beta-Citryl-L-glutamate
beta-Citrylglutamate

seed.compound:cpd31340
seedM:cpd31340
GAQNUGISBQJMKO-YFKPBYRVSA-J 		beta-Citryl-L-glutamate
beta-Citrylglutamate
beta-citryl-L-glutamate

metacyc.compound:CPD-16470
metacycM:CPD-16470
GAQNUGISBQJMKO-YFKPBYRVSA-J 		beta-citryl-L-glutamate

CHEBI:77065
chebi:77065
GAQNUGISBQJMKO-YFKPBYRVSA-N 		beta-citrylglutamic acid
N-[3-carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]-L-glutamic acid
beta-CG
beta-Citryl-L-glutamic acid
beta-Citrylglutamic acid
beta-citryl-L-glutamic acid

keggC:M_C20775
seedM:M_cpd31340 		secondary/obsolete/fantasy identifier