CHEBI:186977 - 21:2(5Z,16Z)

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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 21:2(5Z,16Z)
ChEBI ID CHEBI:186977
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H38O2
Net Charge 0
Average Mass 322.533
Monoisotopic Mass 322.28718
InChI InChI=1S/C21H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h5-6,16-17H,2-4,7-15,18-20H2,1H3,(H,22,23)/b6-5-,17-16-
InChIKey WHODMRWGIAVEJR-RACUUBEBSA-N
SMILES OC(=O)CCC/C=C\CCCCCCCCC/C=C\CCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 21:2(5Z,16Z) (CHEBI:186977) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(5Z,16Z)-henicosa-5,16-dienoic acid
Manual Xrefs Databases
113368178 ChemSpider
LMFA01030868 LIPID MAPS
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