CHEBI:204405 - (2S)-1-[(2E)-2-[(5E)-5-[carboxy(phenyl)methylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetyl]pyrrolidine-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (2S)-1-[(2E)-2-[(5E)-5-[carboxy(phenyl)methylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetyl]pyrrolidine-2-carboxylic acid
ChEBI ID CHEBI:204405
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H21NO7
Net Charge 0
Average Mass 435.432
Monoisotopic Mass 435.13180
InChI InChI=1S/C24H21NO7/c26-22(25-13-7-12-17(25)23(27)28)18(15-8-3-1-4-9-15)20-21(32-14-31-20)19(24(29)30)16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2,(H,27,28)(H,29,30)/b20-18+,21-19+/t17-/m0/s1
InChIKey KESWVSRYMSRQLW-FDMRQPAOSA-N
SMILES O=C(O)/C(/C1=CC=CC=C1)=C\2/OCO/C2=C(\C3=CC=CC=C3)/C(=O)N4[C@H](C(=O)O)CCC4
Metabolite of Species Details
Tricholoma ustale (NCBI:txid113601) See: PubMed
ChEBI Ontology
Outgoing (2S)-1-[(2E)-2-[(5E)-5-[carboxy(phenyl)methylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetyl]pyrrolidine-2-carboxylic acid (CHEBI:204405) is a proline derivative (CHEBI:26273)
IUPAC Name
(2S)-1-[(2E)-2-[(5E)-5-[carboxy(phenyl)methylidene]-1,3-dioxolan-4-ylidene]-2-phenylacetyl]pyrrolidine-2-carboxylic acid
Manual Xref Database
78442021 ChemSpider
View more database links