CHEBI:49388 - bacterioruberin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bacterioruberin
ChEBI ID CHEBI:49388
Definition A C50 carotenoid that is a red-coloured pigment found in several Halobacterium and Haloarcula species.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C50H76O4
Net Charge 0
Average Mass 741.13600
Monoisotopic Mass 740.57436
InChI InChI=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
InChIKey UVCQMCCIAHQDAF-RNTVPSGKSA-N
SMILES 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/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
Metabolite of Species Details
Haloarcula marismortui (NCBI:txid2238) See: PubMed
Halobacterium salinarum (NCBI:txid2242) See: PubMed
Haloarcula japonica (NCBI:txid29282) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(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'-diol MetaCyc
(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-diol IUPAC
bacterioruberin UniProt
Manual Xrefs Databases
22B PDBeChem
CPD-18004 MetaCyc
View more database links
Registry Numbers Types Sources
32719-43-0 CAS Registry Number ChemIDplus
5915104 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23376264 PubMed citation Europe PMC
24823651 PubMed citation Europe PMC
25402913 PubMed citation Europe PMC
25712483 PubMed citation Europe PMC
25910021 PubMed citation Europe PMC
25960108 PubMed citation Europe PMC
Last Modified
20 August 2015