EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177092 - [3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI

ChEBI IDCHEBI:177092
ChEBI Name[3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H17NO7
Net Charge0
Average Mass419.389
Monoisotopic Mass419.10050
SMILESCC(C(=O)O)N1C(c2ccco2)=C(/C(C=O)=C\c2ccco2)C(=O)/C1=C\c1ccco1
InChIInChI=1S/C23H17NO7/c1-14(23(27)28)24-18(12-17-6-3-9-30-17)22(26)20(21(24)19-7-4-10-31-19)15(13-25)11-16-5-2-8-29-16/h2-14H,1H3,(H,27,28)/b15-11-,18-12+
InChIKeyWKLHCENPFNYZSQ-DARJFKRNSA-N
Species of MetaboliteComponentSourceComments
Bos grunniens (ncbitaxon:30521) subcutaneous adipose tissue (BTO:0004042) Article
ChEBI Ontology
Outgoing Relation(s)
[3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI (CHEBI:177092) is a alanine derivative (CHEBI:22278)
IUPAC Name 
2-[(5E)-2-(uran-2-yl)-5-(uran-2-ylmethylidene)-3-[(E)-1-(uran-2-yl)-3-oxoprop-1-en-2-yl]-4-oxopyrrol-1-yl]propanoic acid
Manual XrefsDatabases
HMDB0035174HMDB
35013864ChemSpider