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CHEBI:88754 - CE(22:5(4Z,7Z,10Z,13Z,16Z))

Default Structure
ChEBI IDCHEBI:88754
ChEBI NameCE(22:5(4Z,7Z,10Z,13Z,16Z))
Stars
Last Modified27 June 2017
DownloadsMolfile
FormulaC49H78O2
Net Charge0
Average Mass699.161
Monoisotopic Mass698.60018
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3C4CCC([C@H](C)CCCC(C)C)[C@@]4(C)CCC32)C1
InChIInChI=1S/C49H78O2/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/h11-12,14-15,17-18,20-21,23-24,30,39-40,42-46H,7-10,13,16,19,22,25-29,31-38H2,1-6H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t40-,42+,43?,44?,45?,46?,48+,49-/m1/s1
InChIKeyOMHZQRFOHAXINE-QXYMPDJNSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (21359215)
ChEBI Ontology
Outgoing Relation(s)
CE(22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:88754) is a CE(22:5) (CHEBI:137551)
Synonyms  Source
1-Docosapentaenoyl-cholesterolHMDB
1-Osbondoyl-cholesterolHMDB
22:5(4Z,7Z,10Z,13Z,16Z) 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 (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoateHMDB
CE(22:5)HMDB
CE(22:5/0:0)HMDB
Manual XrefsDatabases
HMDB0010374HMDB
Citations