CHEBI:176725 - Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)

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ChEBI Name Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate)
ChEBI ID CHEBI:176725
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H80O2
Net Charge 0
Average Mass 677.155
Monoisotopic Mass 676.61583
InChI InChI=1S/C47H80O2/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/h11-12,14-15,28,37-38,40-44H,7-10,13,16-27,29-36H2,1-6H3/b12-11-,15-14-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey REFJKOQDWJELKE-AKLGJIFXSA-N
SMILES O([C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)C(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Cholest-5-en-3beta-yl (11Z,14Z-eicosadienoate) (CHEBI:176725) is a cholesteryl ester (CHEBI:17002)
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
17221002 ChemSpider
HMDB0062455 HMDB
LMST01020012 LIPID MAPS
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Last Modified
15 November 2021