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CHEBI:28768 - p-cymene
| Formula | C10H14 |
| Net Charge | 0 |
| Average Mass | 134.222 |
| Monoisotopic Mass | 134.10955 |
| SMILES | Cc1ccc(C(C)C)cc1 |
| InChI | InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 |
| InChIKey | HFPZCAJZSCWRBC-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Melaleuca alternifolia (ncbitaxon:164405) | leaf (BTO:0000713) | PubMed (16418522) | |
| Homo sapiens (ncbitaxon:9606) | |||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| urine (BTO:0001419) | PubMed (24023812) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| p-cymene (CHEBI:28768) has role human urinary metabolite (CHEBI:84087) |
| p-cymene (CHEBI:28768) has role plant metabolite (CHEBI:76924) |
| p-cymene (CHEBI:28768) has role volatile oil component (CHEBI:27311) |
| p-cymene (CHEBI:28768) is a monoterpene (CHEBI:35187) |
| p-cymene (CHEBI:28768) is a toluenes (CHEBI:27024) |
| Incoming Relation(s) |
| 4-isopropylbenzyl alcohol (CHEBI:27628) has functional parent p-cymene (CHEBI:28768) |
| carvacrol (CHEBI:3440) has parent hydride p-cymene (CHEBI:28768) |
| thymol (CHEBI:27607) has parent hydride p-cymene (CHEBI:28768) |
| tea tree oil (CHEBI:83629) has part p-cymene (CHEBI:28768) |
| IUPAC Name |
|---|
| 4-methyl-1-(propan-2-yl)benzene |
| Synonyms | Source |
|---|---|
| p-Cymene | KEGG COMPOUND |
| 1-isopropyl-4-methylbenzene | IUPAC |
| 4-cymene | ChemIDplus |
| 1-methyl-4-(1-methylethyl)benzene | NIST Chemistry WebBook |
| p-cimene | NIST Chemistry WebBook |
| p-cymol | NIST Chemistry WebBook |
| UniProt Name | Source |
|---|---|
| p-cymene | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C06575 | KEGG COMPOUND |
| C06575 | KEGG COMPOUND |
| c0375 | UM-BBD |
| LMPR0102090014 | LIPID MAPS |
| CPD-1001 | MetaCyc |
| P-cymene | Wikipedia |
| HMDB0005805 | HMDB |
| C00003040 | KNApSAcK |
| 2018 | BPDB |
| Citations |
|---|