EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:170062 - Citroflex A-4

Default Structure
ChEBI IDCHEBI:170062
ChEBI NameCitroflex A-4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H34O8
Net Charge0
Average Mass402.484
Monoisotopic Mass402.22537
SMILESCCCCOC(=O)CC(O)(C(=O)OCCCC)C(C(C)=O)C(=O)OCCCC
InChIInChI=1S/C20H34O8/c1-5-8-11-26-16(22)14-20(25,19(24)28-13-10-7-3)17(15(4)21)18(23)27-12-9-6-2/h17,25H,5-14H2,1-4H3
InChIKeyPESZCXUNMKAYME-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas aeruginosa (ncbitaxon:287)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Pseudomonas aeruginosa UCBPP-PA14 [NCBI:txid208963]
Pseudomonas aeruginosa/Staphylococcus aureus (ncbitaxon:1280) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
Staphylococcus aureus (ncbitaxon:1280)
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105) Strain: Staphylococcus aureus subsp. aureus USA300 [NCBI:txid367830]
Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
unidentified (ncbitaxon:32644) Culture media, conditioned (OMIT:0017487) MetaboLights (MTBLS2105)
ChEBI Ontology
Outgoing Relation(s)
Citroflex A-4 (CHEBI:170062) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
tributyl 2-hydroxy-4-oxopentane-1,2,3-tricarboxylate
Manual XrefsDatabases
8398256ChemSpider