CHEBI:171778 - alpha-Terpineol butanoate

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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 alpha-Terpineol butanoate
ChEBI ID CHEBI:171778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H24O2
Net Charge 0
Average Mass 224.344
Monoisotopic Mass 224.17763
InChI InChI=1S/C14H24O2/c1-5-6-13(15)16-14(3,4)12-9-7-11(2)8-10-12/h7,12H,5-6,8-10H2,1-4H3
InChIKey LWKWNIYBQLKBMQ-UHFFFAOYSA-N
SMILES O(C(C1CCC(=CC1)C)(C)C)C(=O)CCC
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 alpha-Terpineol butanoate (CHEBI:171778) is a p-menthane monoterpenoid (CHEBI:25186)
IUPAC Name
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl butanoate
Manual Xrefs Databases
502793 ChemSpider
HMDB0032053 HMDB
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Registry Number Type Source
2153-28-8 CAS Registry Number ChemIDplus