Record Information Version 1.0 Status Detected and Quantified Creation Date 2021-05-15 04:17:32 UTC Update Date 2022-08-31 06:35:15 UTC MiMeDB ID MMDBc0012856 Metabolite Identification Common Name Walleminone Description Walleminone belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review a small amount of articles have been published on Walleminone. Structure Synonyms Not Available Chemical Formula C15 H24 O3 Average Molecular Weight 252.354 Monoisotopic Molecular Weight 252.172544633 IUPAC Name Not Available Traditional Name Not Available CAS Registry Number Not Available SMILES Not Available InChI Identifier InChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1
InChI Key NGQXJSTYWWTPOG-VGYDOTAVSA-N Chemical Taxonomy Description Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Kingdom Organic compounds Super Class Lipids and lipid-like molecules Class Prenol lipids Sub Class Sesquiterpenoids Direct Parent Sesquiterpenoids Alternative Parents Substituents Caryophyllane sesquiterpenoid
Sesquiterpenoid
Cyclic alcohol
Cyclic ketone
Secondary alcohol
Ketone
1,2-diol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound Molecular Framework Aliphatic homopolycyclic compounds External Descriptors Not Available Functional Ontology Not Available Physical Properties State Expected Solid Predicted Properties Not Available Spectra Not Available Biological Properties Cellular Locations Not Available Biospecimen Locations Not Available Tissue Locations Not Available Associated OMIM IDs 114500 (Colorectal cancer)610247 (Eosinophilic esophagitis)Human Proteins and Enzymes Proteins Human Pathways Pathways Metabolic Reactions Not Available
Health Effects and Bioactivity Health Outcome/Bioactivity Metabolite Response/Effect Related Health Condition Evidence Type Measured in Matrix Data Source Reference
Microbial Sources Kingdom Phylum Total species Hosts and Body Sites Microbial Links Fungi Basidiomycota 1 Human Feces Metabolic reconstruction
Exposure Sources Source Type Source Sub-type Species Data Source Reference Details
Host Biospecimen and Location Host and Biospecimen Status Mean Std Min Max Units Age Sex Health Condition Data Source Reference
External Links HMDB ID Not Available DrugBank ID Not Available Phenol Explorer Compound ID Not Available FooDB ID Not Available KNApSAcK ID Not Available Chemspider ID 71044098 KEGG Compound ID Not Available BioCyc ID Not Available BiGG ID Not Available Wikipedia Link Not Available METLIN ID Not Available PubChem Compound 15431312 PDB ID Not Available ChEBI ID Not Available Food Biomarker Ontology Not Available References Synthesis Reference Not Available General References van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]
