EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88753 - CE(22:1(13Z))

ChEBI IDCHEBI:88753
ChEBI NameCE(22:1(13Z))
Stars
Last Modified15 November 2021
DownloadsMolfile
FormulaC49H86O2
Net Charge0
Average Mass707.225
Monoisotopic Mass706.66278
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC32)C1
InChIInChI=1S/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3/b15-14-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
InChIKeySQHUGNAFKZZXOT-JWTURFAQSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
ChEBI Ontology
Outgoing Relation(s)
CE(22:1(13Z)) (CHEBI:88753) is a CE(22:1) (CHEBI:183802)
Synonyms  Source
Cholesterol Ester(22:1w9/0:0)HMDB
Cholesterol 1-(13Z-docosenoate)HMDB
CE(22:1n9/0:0)HMDB
(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 (13Z)-docos-13-enoateHMDB
Cholesteryl 1-erucoateHMDB
Cholesterol 1-(13Z-docosenoic acidHMDB
Manual XrefsDatabases
HMDB0010372HMDB
Citations