CHEBI:229705 - (4Z,15Z)-bilirubin IXα C12-β-D-glucuronoside(2−)

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 (4Z,15Z)-bilirubin IXα C12-β-D-glucuronoside(2−)
ChEBI ID CHEBI:229705
ChEBI ASCII Name (4Z,15Z)-bilirubin IXalpha C12-beta-D-glucuronoside(2-)
Definition Major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C39H42N4O12
Net Charge -2
Average Mass 758.782
Monoisotopic Mass 758.28102
InChI InChI=1S/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-17(4)22(9-11-30(44)45)28(41-25)15-29-23(18(5)24(40-29)13-26-16(3)21(8-2)37(51)42-26)10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52)53/h7-8,13-14,32-35,39-41,47-49H,1-2,9-12,15H2,3-6H3,(H,42,51)(H,43,50)(H,44,45)(H,52,53)/p-2/b26-13-,27-14-/t32-,33-,34+,35-,39+/m0/s1
InChIKey MQRFWGRFUKAJAX-LCNKTQGVSA-L
SMILES C=1(/C=C/2\NC(=O)C(=C2C=C)C)NC(=C(C1C)CCC([O-])=O)CC=3NC(/C=C/4\NC(C(=C4C)C=C)=O)=C(C3CCC(=O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O)C
ChEBI Ontology
Outgoing (4Z,15Z)-bilirubin IXα C12-β-D-glucuronoside(2−) (CHEBI:229705) is a carbohydrate acid derivative anion (CHEBI:63551)
(4Z,15Z)-bilirubin IXα C12-β-D-glucuronoside(2−) (CHEBI:229705) is a dicarboxylic acid dianion (CHEBI:28965)
Synonym Source
(4Z,15Z)-bilirubin IXα C12-β-D-glucuronoside UniProt
Manual Xref Database
BILIRUBIN-GLUCURONOSIDE MetaCyc accession
View more database links
Last Modified
05 March 2024