EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88755 - CE(20:4(8Z,11Z,14Z,17Z))

Default Structure
ChEBI IDCHEBI:88755
ChEBI NameCE(20:4(8Z,11Z,14Z,17Z))
Stars
Last Modified15 November 2021
DownloadsMolfile
FormulaC47H76O2
Net Charge0
Average Mass673.123
Monoisotopic Mass672.58453
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC32)C1
InChIInChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h8-9,11-12,14-15,17-18,28,37-38,40-44H,7,10,13,16,19-27,29-36H2,1-6H3/b9-8-,12-11-,15-14-,18-17-/t38-,40+,41?,42?,43?,44?,46+,47-/m1/s1
InChIKeyHZUAPDDXDDVFOX-FETKFLJASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
ChEBI Ontology
Outgoing Relation(s)
CE(20:4(8Z,11Z,14Z,17Z)) (CHEBI:88755) is a CE(20:4) (CHEBI:183798)
CE(20:4(8Z,11Z,14Z,17Z)) (CHEBI:88755) is a cholesteryl icosatetraenoate (CHEBI:132006)
Synonyms  Source
1-EicsoateHMDB
1-Eicsoatetraenoyl-cholesterolHMDB
1-Eicsoic acidHMDB
20:4(8Z,11Z,14Z,17Z) Cholesterol esterHMDB
(2R,5S,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoateHMDB
CE(20:4)HMDB
Manual XrefsDatabases
HMDB0010371HMDB
Citations