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5-deoxy-5-amino-3-dehydroshikimate

PropertiesImage
MNX_IDMNXM5553 Image of MNXM5553
referencechebi:71963
formulaC7H9NO4
global charge0
mol weight171.152
InChIKeyNTKDYXWKDJOXSZ-XINAWCOVSA-N
InChIInChI=1S/C7H9NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4,6,10H,1,8H2,(H,11,12)/t4-,6+/m1/s1
SMILES[NH3+][C@@H]1CC(C(=O)[O-])=CC(=O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C7H9NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h2,4,6,10H,1,8H2,(H,11,12)/t4-,6+/m1/s1 Image of MNXM5553
SMILES (mnx)[CH2:1]1[C:3]([C:7](=[O:11])[OH:12])=[CH:2][C:5](=[O:9])[C@@H:6]([OH:10])[C@@H:4]1[NH2:8]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71963
chebi:71963
NTKDYXWKDJOXSZ-XINAWCOVSA-N 		5-deoxy-5-amino-3-dehydroshikimate
(4S,5R)-5-azaniumyl-4-hydroxy-3-oxocyclohex-1-ene-1-carboxylate
5-amino-5-deoxy-3-dehydroshikimic acid zwitterion
5-ammonio-5-deoxy-3-dehydroshikimate

kegg.compound:C12108
keggC:C12108
NTKDYXWKDJOXSZ-XINAWCOVSA-N 		5-Amino-5-deoxy-3-dehydroshikimate
5-Deoxy-5-amino-3-dehydroshikimic acid
AminoDHS

metacyc.compound:CPD-10230
metacycM:CPD-10230
NTKDYXWKDJOXSZ-XINAWCOVSA-N 		5-amino-5-deoxy-3-dehydroshikimate
5-deoxy-5-amino-3-dehydroshikimic acid
aminoDHS

CHEBI:29514
chebi:29514
NTKDYXWKDJOXSZ-XINAWCOVSA-N 		5-amino-5-deoxy-3-dehydroshikimic acid
(4S,5R)-5-amino-4-hydroxy-3-oxocyclohex-1-ene-1-carboxylic acid
5-Deoxy-5-amino-3-dehydroshikimic acid
AminoDHS

seed.compound:cpd08890
seedM:cpd08890
NTKDYXWKDJOXSZ-XINAWCOVSA-N 		AminoDHS
5-Amino-5-deoxy-3-dehydroshikimate
5-Deoxy-5-amino-3-dehydroshikimic acid
5-amino-5-deoxy-3-dehydroshikimate
5-deoxy-5-amino-3-dehydroshikimate
5-deoxy-5-amino-3-dehydroshikimic acid
aminoDHS

keggC:M_C12108
seedM:M_cpd08890 		secondary/obsolete/fantasy identifier