CHEBI:172041 - Methyl 2-undecynoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Methyl 2-undecynoate
ChEBI ID CHEBI:172041
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H20O2
Net Charge 0
Average Mass 196.290
Monoisotopic Mass 196.14633
InChI InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3
InChIKey YPUZOJRRZPRXNV-UHFFFAOYSA-N
SMILES O(C(=O)C#CCCCCCCCC)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing Methyl 2-undecynoate (CHEBI:172041) is a fatty acid ester (CHEBI:35748)
IUPAC Name
methyl undec-2-ynoate
Manual Xrefs Databases
55444 ChemSpider
HMDB0030945 HMDB
LMFA07010946 LIPID MAPS
View more database links
Registry Number Type Source
10522-18-6 CAS Registry Number ChemIDplus