CHEBI:93224 - (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-1-cyclopropanecarboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-1-cyclopropanecarboxylic acid
ChEBI ID CHEBI:93224
Stars This entity has been manually annotated by a third party.
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Formula C20H19NO5
Net Charge 0
Average Mass 353.369
Monoisotopic Mass 353.12632
InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
InChIKey VLZBRVJVCCNPRJ-KPHUOKFYSA-N
SMILES C1[C@@H]([C@H]1[C@@](CC2C3=CC=CC=C3OC4=CC=CC=C24)(C(=O)O)N)C(=O)O
ChEBI Ontology
Outgoing (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]-1-cyclopropanecarboxylic acid (CHEBI:93224) is a xanthenes (CHEBI:38835)
Manual Xref Database
LSM-3560 LINCS
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