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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 |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | |||
| urine (BTO:0001419) | PubMed (24023812) | ||
| saliva (UBERON:0001836) | PubMed (24421258) | ||
| Melaleuca alternifolia (ncbitaxon:164405) | leaf (BTO:0000713) | PubMed (16418522) |
| 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. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| 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 |
|---|---|
| 1-isopropyl-4-methylbenzene | IUPAC |
| 1-methyl-4-(1-methylethyl)benzene | NIST Chemistry WebBook |
| 1-methyl-4-isopropylbenzene | NIST Chemistry WebBook |
| 1-methyl-4-(propan-2-yl)benzene | HMDB |
| 4-cymene | ChemIDplus |
| 4-Isopropyl-1-methylbenzene | HMDB |
| UniProt Name | Source |
|---|---|
| p-cymene | UniProt |
| Manual Xrefs | Databases |
|---|---|
| 2018 | BPDB |
| C00003040 | KNApSAcK |
| c0375 | UM-BBD |
| C06575 | KEGG COMPOUND |
| C06575 | KEGG COMPOUND |
| CPD-1001 | MetaCyc |
| HMDB0005805 | HMDB |
| LMPR0102090014 | LIPID MAPS |
| P-cymene | Wikipedia |
| Citations |
|---|