CHEBI:181358 - 15,16-Dihydrobiliverdin ixa

ChEBI IDCHEBI:181358
ChEBI Name15,16-Dihydrobiliverdin ixa
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36N4O6
Net Charge0
Average Mass584.673
Monoisotopic Mass584.26348
SMILESC=CC1=C(C)C(=O)N=C1/C=c1\n/c(=C\c2nc(C[C@H]3NC(=O)C(C=C)=C3C)c(C)c2CCC(=O)O)c(CCC(=O)O)c1C
InChIInChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,34-35H,1-2,9-13H2,3-6H3,(H,36,43)(H,38,39)(H,40,41)/b25-14-,29-15-/t26-/m1/s1
InChIKeyCGSPNIOREWHDGG-VDBYBEJGSA-N
ChEBI Ontology
Outgoing Relation(s)
15,16-Dihydrobiliverdin ixa (CHEBI:181358) is a biladienes (CHEBI:36735)
IUPAC Name 
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2R)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-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
C11630KEGG COMPOUND
4445234ChemSpider