EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49388 - bacterioruberin

ChEBI IDCHEBI:49388
ChEBI Namebacterioruberin
Stars
DefinitionA C50 carotenoid that is a red-coloured pigment found in several Halobacterium and Haloarcula species.
Last Modified20 August 2015
DownloadsMolfile
FormulaC50H76O4
Net Charge0
Average Mass741.154
Monoisotopic Mass740.57436
SMILESCC(/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\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
InChIInChI=1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,33-31+,34-32+,39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46-/m1/s1
InChIKeyUVCQMCCIAHQDAF-RNTVPSGKSA-N
Species of MetaboliteComponentSourceComments
Halobacterium salinarum (ncbitaxon:2242) - PubMed (24823651)
Haloarcula japonica (ncbitaxon:29282) - PubMed (25712483)
Haloarcula marismortui (ncbitaxon:2238) - PubMed (25402913)
Roles Classification
Biological Roles:
biological pigment  An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
bacterioruberin (CHEBI:49388) has role bacterial metabolite (CHEBI:76969)
bacterioruberin (CHEBI:49388) has role biological pigment (CHEBI:26130)
bacterioruberin (CHEBI:49388) is a C50 carotenoid (CHEBI:87165)
bacterioruberin (CHEBI:49388) is a tertiary alcohol (CHEBI:26878)
bacterioruberin (CHEBI:49388) is a tetrol (CHEBI:33573)
Synonyms  Source
(2S,2'S)-2,2'-bis(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-γ,γ-carotene-1,1'-diolMetaCyc
(5S,,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E,30E,32S)-5,32-bis(2-hydroxypropan-2-yl)-2,8,12,16,21,25,29,35-octamethylhexatriaconta-6,8,10,12,14,16,18,20,22,24,26,28,30-tridecaene-2,35-diolIUPAC
UniProt Name  Source
bacterioruberinUniProt
Manual XrefsDatabases
22BPDBeChem
CPD-18004MetaCyc
Registry NumbersSources
Reaxys:5915104Reaxys
CAS:32719-43-0ChemIDplus
Citations