CHEBI:87122 - monoanhydrobacterioruberin

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ChEBI Name monoanhydrobacterioruberin ChEBI ID CHEBI:87122 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 C50H74O3 Net Charge 0 Average Mass 723.12080 Monoisotopic Mass 722.56380 InChI InChI=1S/C50H74O3/c1-39(2)31-34-46(49(11,12)52)35-32-44(7)29-19-27-42(5)25-17-23-40(3)21-15-16-22-41(4)24-18-26-43(6)28-20-30-45(8)33-36-47(50(13,14)53)37-38-48(9,10)51/h15-33,35-36,46-47,51-53H,34,37-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,35-32+,36-33+,40-21+,41-22+,42-25+,43-26+,44-29+,45-30+/t46-,47+/m0/s1 InChIKey YZHIJCLHPFRXMT-HUITWBMXSA-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](CCC(C)(C)O)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 cutirubrum (NCBI:txid2242) See: PubMed Halobacterium salinarum (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 monoanhydrobacterioruberin (CHEBI:87122) has role bacterial metabolite (CHEBI:76969) monoanhydrobacterioruberin (CHEBI:87122) is a C50 carotenoid (CHEBI:87165) monoanhydrobacterioruberin (CHEBI:87122) is a tertiary alcohol (CHEBI:26878) monoanhydrobacterioruberin (CHEBI:87122) is a triol (CHEBI:27136) IUPAC Name (3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30S)-30-(2-hydroxypropan-2-yl)-2,6,10,14,19,23,27,33-octamethyl-3-(3-methylbut-2-en-1-yl)tetratriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene-2,33-diol Synonym Source monoanhydrobacterioruberin UniProt Manual Xref Database CPD-18021 MetaCyc View more database links Registry Number Type Source 7912700 Reaxys Registry Number Reaxys Citations Types Sources 1182141 PubMed citation Europe PMC 20362434 PubMed citation Europe PMC 24672517 PubMed citation Europe PMC 25712483 PubMed citation SUBMITTER 540255 PubMed citation Europe PMC 971466 PubMed citation Europe PMC Last Modified 10 August 2015