CHEBI:87031 - flexirubin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name flexirubin
ChEBI ID CHEBI:87031
Definition The parent member of the class of flexirubins obtained by formal condensation of the carboxy group of 17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoic acid with one of the phenolic hydroxy groups of 2-dodecyl-5-methyl resorcinol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C43H54O4
Net Charge 0
Average Mass 634.88650
Monoisotopic Mass 634.40221
InChI InChI=1S/C43H54O4/c1-4-5-6-7-8-9-17-20-23-26-29-39-41(45)33-36(2)34-42(39)47-43(46)30-27-24-21-18-15-13-11-10-12-14-16-19-22-25-28-38-31-32-40(44)37(3)35-38/h10-16,18-19,21-22,24-25,27-28,30-35,44-45H,4-9,17,20,23,26,29H2,1-3H3
InChIKey GFNJWVBJKYYUIN-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCc1c(O)cc(C)cc1OC(=O)C=CC=CC=CC=CC=CC=CC=CC=Cc1ccc(O)c(C)c1
Metabolite of Species Details
Flexibacter elegans (NCBI:txid997) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via flexirubins )
biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
(via flexirubins )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing flexirubin (CHEBI:87031) is a flexirubins (CHEBI:87032)
IUPAC Name
2-dodecyl-3-hydroxy-5-methylphenyl 17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoate
Registry Numbers Types Sources
3026434 Reaxys Registry Number Reaxys
54363-90-5 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
4217145 PubMed citation Europe PMC
Last Modified
21 July 2015