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2-amino-4-[3-(2-amino-2-carboxylatoethyl)-6-oxocyclohexa-1,4-dien-1-yl]pentanedioate

MNXM114439 is deprecated and here replaced by MNXM726970
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM726970 Image of MNXM726970
referencemetacycM:CPD-12136
formulaC14H17N2O7
global charge-1
mol weight325.297
InChIKeyRYBKCROHRDEYCF-UHFFFAOYSA-M
InChIInChI=1S/C14H18N2O7/c15-9(13(20)21)4-6-1-2-11(17)7(3-6)8(12(18)19)5-10(16)14(22)23/h1-3,6,8-10H,4-5,15-16H2,(H,18,19)(H,20,21)(H,22,23)/p-1
SMILES[NH3+]C(CC1C=CC(=O)C(C(CC([NH3+])C(=O)[O-])C(=O)[O-])=C1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C14H18N2O7/c15-9(13(20)21)4-6-1-2-11(17)7(3-6)8(12(18)19)5-10(16)14(22)23/h1-3,6,8-10H,4-5,15-16H2,(H,18,19)(H,20,21)(H,22,23)/t6?,8?,9?,10? Image of MNXM726970
SMILES (mnx)[CH:1]1=[CH:2][C:11](=[O:17])[C:7]([CH:8]([CH2:5][CH:10]([C:14](=[O:22])[OH:23])[NH2:16])[C:12](=[O:18])[OH:19])=[CH:3][CH:6]1[CH2:4][CH:9]([C:13](=[O:20])[OH:21])[NH2:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD-12136
metacycM:CPD-12136
seed.compound:cpd23264
seedM:cpd23264
RYBKCROHRDEYCF-UHFFFAOYSA-M 		2-amino-4-[3-(2-amino-2-carboxylatoethyl)-6-oxocyclohexa-1,4-dien-1-yl]pentanedioate

seedM:M_cpd23264 		secondary/obsolete/fantasy identifier