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CHEBI:143515 - 4-amino-4-deoxyprephenic acid

Default Structure
ChEBI IDCHEBI:143515
ChEBI Name4-amino-4-deoxyprephenic acid
Stars
Last Modified4 April 2019
SubmitterAdnan
DownloadsMolfile
FormulaC10H11NO5
Net Charge0
Average Mass225.200
Monoisotopic Mass225.06372
SMILESN[C@H]1C=C[C@@](CC(=O)C(=O)O)(C(=O)O)C=C1
InChIInChI=1S/C10H11NO5/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6H,5,11H2,(H,13,14)(H,15,16)/t6-,10+
InChIKeyOJJQTAMHYLSXHT-XGAOUMNUSA-N
ChEBI Ontology
Outgoing Relation(s)
4-amino-4-deoxyprephenic acid (CHEBI:143515) is a 2-oxo monocarboxylic acid (CHEBI:35910)
4-amino-4-deoxyprephenic acid (CHEBI:143515) is a cyclohexadiene (CHEBI:37613)
4-amino-4-deoxyprephenic acid (CHEBI:143515) is a dicarboxylic acid (CHEBI:35692)
IUPAC Names 
(1s,4s)-4-amino-1-(2-carboxy-2-oxoethyl)cyclohexa-2,5-diene-1-carboxylic acid
cis-4-amino-1-(2-carboxy-2-oxoethyl)cyclohexa-2,5-diene-1-carboxylic acid