EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:182173 - 3-[(2Z,5Z)-2-[[3-(2-Carboxyethyl)-5-(4-ethenyl-5-formyl-3-methyl-1H-pyrrole-2-carbonyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

ChEBI IDCHEBI:182173
ChEBI Name3-[(2Z,5Z)-2-[[3-(2-Carboxyethyl)-5-(4-ethenyl-5-formyl-3-methyl-1H-pyrrole-2-carbonyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H34N4O7
Net Charge0
Average Mass610.667
Monoisotopic Mass610.24275
SMILESC=CC1=C(C)C(=O)N=C1/C=c1\n/c(=C\c2nc(C(=O)c3nc(C=O)c(C=C)c3C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
InChIInChI=1S/C34H34N4O7/c1-7-20-17(4)31(37-28(20)15-39)33(44)32-18(5)23(10-12-30(42)43)27(36-32)14-26-22(9-11-29(40)41)16(3)24(35-26)13-25-21(8-2)19(6)34(45)38-25/h7-8,13-15,35-37H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/b24-13-,26-14-
InChIKeyPWYQXTMTYPLREX-SOSDAJRSSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(2Z,5Z)-2-[[3-(2-Carboxyethyl)-5-(4-ethenyl-5-formyl-3-methyl-1H-pyrrole-2-carbonyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid (CHEBI:182173) is a tetrapyrrole (CHEBI:26932)
IUPAC Name 
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-(4-ethenyl-5-ormyl-3-methyl-1H-pyrrole-2-carbonyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
Manual XrefsDatabases
C21625KEGG COMPOUND