CHEBI:136517 - anaerobilin dizwitterion

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ChEBI Name anaerobilin dizwitterion
ChEBI ID CHEBI:136517
Definition An iminium betaine resulting from a transfer of two protons from the carboxy groups to the imino groups of anaerobilin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C35H38N4O4
Net Charge 0
Average Mass 578.702
Monoisotopic Mass 578.28931
InChI InChI=1S/C35H38N4O4/c1-8-23-18-36-28(19(23)4)15-29-21(6)25(11-13-34(40)41)32(38-29)17-33-26(12-14-35(42)43)22(7)30(39-33)16-31-24(9-2)20(5)27(10-3)37-31/h8-10,15-18,27,36,39H,1-3,11-14H2,4-7H3,(H,40,41)(H,42,43)/b29-15-,30-16-,33-17-
InChIKey XCXDCXFCDADSKR-VTRMHZAASA-N
SMILES C=1(NC=C(C1C)C=C)/C=C/2\[NH+]=C(\C=C/3\C(=C(\C(=C\C4=[NH+]C(C=C)C(=C4C=C)C)\N3)C)CCC([O-])=O)C(=C2C)CCC([O-])=O
ChEBI Ontology
Outgoing anaerobilin dizwitterion (CHEBI:136517) is a iminium betaine (CHEBI:35285)
anaerobilin dizwitterion (CHEBI:136517) is tautomer of anaerobilin (CHEBI:137333)
Incoming anaerobilin (CHEBI:137333) is tautomer of anaerobilin dizwitterion (CHEBI:136517)
Synonym Source
anaerobilin UniProt
Manual Xref Database
CPD-19710 MetaCyc
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Citation Waiting for Citations Type Source
27791000 PubMed citation SUBMITTER
Last Modified
06 June 2017