CHEBI:87121 - bisanhydrobacterioruberin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name bisanhydrobacterioruberin ChEBI ID CHEBI:87121 Definition A C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C50H72O2 Net Charge 0 Average Mass 705.10550 Monoisotopic Mass 704.55323 InChI InChI=1S/C50H72O2/c1-39(2)31-35-47(49(11,12)51)37-33-45(9)29-19-27-43(7)25-17-23-41(5)21-15-16-22-42(6)24-18-26-44(8)28-20-30-46(10)34-38-48(50(13,14)52)36-32-40(3)4/h15-34,37-38,47-48,51-52H,35-36H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,38-34+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1 InChIKey YSNDIOZFQNZVGY-SOGLEDDYSA-N SMILES CC(C)=CC[C@@H](\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)\C=C\[C@H](CC=C(C)C)C(C)(C)O)C(C)(C)O Metabolite of Species Details Arthrobacter glacialis (NCBI:txid1664) See: PubMed Haloarcula marismortui (NCBI:txid2238) See: PubMed Halobacterium salinarum (NCBI:txid2242) See: PubMed Halobacterium cutirubrum (NCBI:txid2242) See: PubMed Haloarcula japonica (NCBI:txid29282) See: PubMed Haloferax mediterranei (NCBI:txid523841) of strain ATCC 33500 See: PubMed Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing bisanhydrobacterioruberin (CHEBI:87121) has role bacterial metabolite (CHEBI:76969) bisanhydrobacterioruberin (CHEBI:87121) is a C50 carotenoid (CHEBI:87165) bisanhydrobacterioruberin (CHEBI:87121) is a diol (CHEBI:23824) bisanhydrobacterioruberin (CHEBI:87121) is a tertiary alcohol (CHEBI:26878) Synonyms Sources (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-2,6,10,14,19,23,27,31-octamethyl-3,30-bis(3-methylbut-2-en-1-yl)dotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,31-diol IUPAC bisanhydrobacterioruberin UniProt Manual Xrefs Databases C00023095 KNApSAcK CPD-18008 MetaCyc View more database links Registry Numbers Types Sources 30403-59-9 CAS Registry Number KNApSAcK 7912396 Reaxys Registry Number Reaxys Citations Types Sources 1211003 PubMed citation Europe PMC 20362434 PubMed citation Europe PMC 22805960 PubMed citation Europe PMC 24672517 PubMed citation Europe PMC 25712483 PubMed citation SUBMITTER 540255 PubMed citation Europe PMC 971466 PubMed citation Europe PMC IND44746329 Agricola citation Europe PMC Last Modified 10 August 2015