CHEBI:186687 - (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate
ChEBI ID CHEBI:186687
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O2
Net Charge 0
Average Mass 404.679
Monoisotopic Mass 404.36543
InChI InChI=1S/C27H48O2/c1-6-7-8-9-10-11-12-13-14-21-27(28)29-23-22-26(5)20-16-19-25(4)18-15-17-24(2)3/h17,19,22H,6-16,18,20-21,23H2,1-5H3/b25-19+,26-22+
InChIKey APTQJZOTWYEACL-HWHBRYGOSA-N
SMILES O(C(=O)CCCCCCCCCCC)C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing (E,E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl dodecanoate (CHEBI:186687) is a wax ester (CHEBI:10036)
IUPAC Name
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] dodecanoate
Manual Xrefs Databases
28591213 ChemSpider
LMFA07010540 LIPID MAPS
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