monoanhydrobacterioruberin (CHEBI:87122)

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CHEBI:87122 - monoanhydrobacterioruberin

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ChEBI ID	CHEBI:87122
ChEBI Name	monoanhydrobacterioruberin
Stars
Definition	A C₅₀ carotenoid that is an intermediate in the biosynthesis of bacterioruberin, a red-coloured pigment found in several Halobacterium and Haloarcula species.
Last Modified	10 August 2015
Submitter	Kristian Axelsen
Downloads	Molfile

Formula	C50H74O3
Net Charge	0
Average Mass	723.139
Monoisotopic Mass	722.56380
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
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

Species of Metabolite	Component	Source	Comments
Haloferax mediterranei (ncbitaxon:523841)	-	PubMed (20362434)	Strain: ATCC 33500
Halobacterium cutirubrum (ncbitaxon:2242)	-	PubMed (540255)
Haloarcula japonica (ncbitaxon:29282)	-	PubMed (25712483)
Halobacterium salinarum (ncbitaxon:2242)	-	PubMed (24823651)
Haloarcula marismortui (ncbitaxon:2238)	-	PubMed (25402913)
Arthrobacter glacialis (ncbitaxon:1664)	-	PubMed (1211003)

Roles Classification

Biological Role:

bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	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

UniProt Name	Source
monoanhydrobacterioruberin	UniProt

Manual Xrefs	Databases
CPD-18021	MetaCyc

Registry Numbers	Sources
Reaxys:7912700	Reaxys

Citations