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N-(4-hydroxybenzoyl)-L-glutamate

PropertiesImage
MNX_IDMNXM19543 Image of MNXM19543
referencemetacycM:CPD-11847
formulaC12H11NO6
global charge-2
mol weight265.221
InChIKeyBCQYMCKNCJYKFA-VIFPVBQESA-L
InChIInChI=1S/C12H13NO6/c14-8-3-1-7(2-4-8)11(17)13-9(12(18)19)5-6-10(15)16/h1-4,9,14H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/p-2/t9-/m0/s1
SMILESO=C([O-])CC[C@H](NC(=O)C1=CC=C(O)C=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C12H13NO6/c14-8-3-1-7(2-4-8)11(17)13-9(12(18)19)5-6-10(15)16/h1-4,9,14H,5-6H2,(H,13,17)(H,15,16)(H,18,19)/t9-/m0/s1 Image of MNXM19543
SMILES (mnx)[CH:1]1=[CH:3][C:8]([OH:14])=[CH:4][CH:2]=[C:7]1[C:11]([NH:13][C@@H:9]([CH2:5][CH2:6][C:10](=[O:15])[OH:16])[C:12](=[O:18])[OH:19])=[O:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-11847
metacycM:CPD-11847
BCQYMCKNCJYKFA-VIFPVBQESA-L
N-(4-hydroxybenzoyl)-L-glutamate
N-(4-hydroxybenzoyl)-L-glutamic acid

seed.compound:cpd23106
seedM:cpd23106
BCQYMCKNCJYKFA-VIFPVBQESA-L
4HBA-Glu
N-(4-hydroxybenzoyl)-L-glutamate
N-(4-hydroxybenzoyl)-L-glutamic acid

seedM:M_cpd23106
secondary/obsolete/fantasy identifier