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anticapsin

Go to external page http://purl.obolibrary.org/obo/CHEBI_85005

An alanine derivative that is L-alanine bearing a 5-oxo-7-oxabicyclo[4.1.0]hept-2-yl substituent at position 3.

Term info

Label

anticapsin

Synonyms
  • 3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine
database cross reference
Subsets

3_STAR

IUPAC NAME
3-[(1R,2S,6R)-5-oxo-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine [ IUPAC ]

charge

0

formula

C9H13NO4

has obo namespace

chebi_ontology

has related synonym

NSC 177854

id

CHEBI:85005

inchi

InChI=1S/C9H13NO4/c10-5(9(12)13)3-4-1-2-6(11)8-7(4)14-8/h4-5,7-8H,1-3,10H2,(H,12,13)/t4-,5-,7+,8-/m0/s1

inchikey

KHVZXXWDPSCGEK-MGVQOFIGSA-N

mass

199.20380

monoisotopicmass

199.08446

smiles

N[C@@H](C[C@@H]1CCC(=O)[C@@H]2O[C@H]12)C(O)=O