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CHEBI:87161 - dihydrobisanhydrobacterioruberin

ChEBI IDCHEBI:87161
ChEBI Namedihydrobisanhydrobacterioruberin
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 Modified11 August 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC50H74O2
Net Charge0
Average Mass707.140
Monoisotopic Mass706.56888
SMILESCC(C)=CC[C@@H](CC/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/C50H74O2/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/h15-33,37,47-48,51-52H,34-36,38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,37-33+,41-21+,42-22+,43-25+,44-26+,45-29+,46-30+/t47-,48-/m0/s1
InChIKeyDBVNNKGZPLOLDX-VFYNWLBVSA-N
Species of MetaboliteComponentSourceComments
Haloarcula japonica (ncbitaxon:29282) - PubMed (25712483)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
dihydrobisanhydrobacterioruberin (CHEBI:87161) has role bacterial metabolite (CHEBI:76969)
dihydrobisanhydrobacterioruberin (CHEBI:87161) is a C50 carotenoid (CHEBI:87165)
dihydrobisanhydrobacterioruberin (CHEBI:87161) is a diol (CHEBI:23824)
dihydrobisanhydrobacterioruberin (CHEBI:87161) is a tertiary alcohol (CHEBI:26878)
IUPAC Name 
(3S,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,30R)-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-dodecaene-2,31-diol
UniProt Name  Source
dihydrobisanhydrobacterioruberinUniProt
Manual XrefsDatabases
CPD-18007MetaCyc
Citations