CHEBI:172090 - 3-Methylbutyl decanoate

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 3-Methylbutyl decanoate
ChEBI ID CHEBI:172090
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H30O2
Net Charge 0
Average Mass 242.403
Monoisotopic Mass 242.22458
InChI InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
InChIKey XDOGFYDZGUDBQY-UHFFFAOYSA-N
SMILES O(CCC(C)C)C(=O)CCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 3-Methylbutyl decanoate (CHEBI:172090) is a fatty acid ester (CHEBI:35748)
IUPAC Name
3-methylbutyl decanoate
Manual Xrefs Databases
67858 ChemSpider
HMDB0038907 HMDB
LMFA07010758 LIPID MAPS
View more database links
Registry Number Type Source
2306-91-4 CAS Registry Number ChemIDplus