Chemical Component Summary

Name(5S,6S)-6-amino-5-[(1-carboxyethenyl)oxy]cyclohexa-1,3-diene-1-carboxylic acid
Synonyms2-amino-2-deoxy-isochorismic acid
Identifiers(5S,6S)-6-azanyl-5-(3-hydroxy-3-oxo-prop-1-en-2-yl)oxy-cyclohexa-1,3-diene-1-carboxylic acid
FormulaC10 H11 N O5
Molecular Weight225.198
TypeNON-POLYMER
Isomeric SMILESC=C(C(=O)O)O[C@H]1C=CC=C([C@@H]1N)C(=O)O
InChIInChI=1S/C10H11NO5/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1
InChIKeyOKLGKGPAZUNROU-YUMQZZPRSA-N

Chemical Details

Formal Charge0
Atom Count27
Chiral Atom Count2
Bond Count27
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 15183849
ChEBI CHEBI:49197