CHEBI:89186 - 2-Ethyl-4-methyl-1-pentanol

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ChEBI Name 2-Ethyl-4-methyl-1-pentanol
ChEBI ID CHEBI:89186
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C8H18O
Net Charge 0
Average Mass 130.228
Monoisotopic Mass 130.13577
InChI InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3
InChIKey QCHSJPKDWOFACC-UHFFFAOYSA-N
SMILES OCC(CC(C)C)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: Zhang, S., Liu, L., Steffen, D., Ye, T., Raftery, D. (2012) Metabolic profiling of gender: Headspace-SPME/GC–MS and 1H NMR analysis of urine. Metabolomics 8:323–334.
ChEBI Ontology
Outgoing 2-Ethyl-4-methyl-1-pentanol (CHEBI:89186) is a primary alcohol (CHEBI:15734)
Synonyms Sources
2-Ethyl-4-methylpentan-1-ol HMDB
2-ethyl-4-methylpentan-1-ol HMDB
2-ethyl-4-methylpentan-1-ol HMDB
2-Ethyl-4-methylpentanol HMDB
2-Ethylisohexanol HMDB
Manual Xref Database
HMDB0013818 HMDB
View more database links
Registry Number Type Source
106-67-2 CAS Registry Number KEGG COMPOUND