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CHEBI:87121 - bisanhydrobacterioruberin

ChEBI IDCHEBI:87121
ChEBI Namebisanhydrobacterioruberin
Stars
DefinitionA C50 carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species.
Last Modified10 August 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC50H72O2
Net Charge0
Average Mass705.124
Monoisotopic Mass704.55323
SMILESCC(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
InChIInChI=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
InChIKeyYSNDIOZFQNZVGY-SOGLEDDYSA-N
Species of MetaboliteComponentSourceComments
Haloarcula japonica (ncbitaxon:29282) - PubMed (25712483)
Halobacterium salinarum (ncbitaxon:2242) - PubMed (24823651)
Haloarcula marismortui (ncbitaxon:2238) - PubMed (25402913)
Arthrobacter glacialis (ncbitaxon:1664) - PubMed (1211003)
Halobacterium cutirubrum (ncbitaxon:2242) - PubMed (540255)
Haloferax mediterranei (ncbitaxon:523841) - PubMed (20362434) Strain: ATCC 33500
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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)
Synonym  Source
(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-diolIUPAC
UniProt Name  Source
bisanhydrobacterioruberinUniProt
Manual XrefsDatabases
CPD-18008MetaCyc
C00023095KNApSAcK
Registry NumbersSources
Reaxys:7912396Reaxys
CAS:30403-59-9KNApSAcK
Citations