Metabolite Card
Formula: C8H8O (120.0575)
SMILES: CC1=CC=C(C=O)C=C1
Synonyms [en]
p-tolualdehyde; 4-methylbenzaldehyde; p-Methylbenzaldehyde; para-Tolualdehyde; p-Formyltoluene; 4-tolualdehyde
Last reviewed on 2024-06-28.
Cite this Page
p-Tolualdehyde. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China.
https://biocad_registry.innovation.ac.cn/s/(-)-arctiin
(retrieved
2026-01-03) (CAD Registry RN: BioCAD00000015790). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
4-Methylbenzaldehyde, also known as p-toluylaldehyde or p-formyltoluene, belongs to the class of organic compounds known as benzoyl derivatives. A tolualdehyde compound with the methyl substituent at the 4-position. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). 4-Methylbenzaldehyde is a cherry and fruity tasting compound. 4-Methylbenzaldehyde has been detected, but not quantified, in several different foods, such as caraway, sweet cherries, tea, nuts, and coffee and coffee products.
DBLinks
- CAS Registry Number: 104-87-0
- PubChem CID: 7725
- ChEBI: 28617
- HMDB: HMDB0029638
- LipidMaps:
- KEGG: C06758
- BioCyc: CPD-8773
- NCBI MeSH: 4-methylbenzaldehyde
- Wikipedia: 4-Methylbenzaldehyde
Other DBLinks
- CAS Registry Number: 104-87-0
- PubChem: 7725
- ChEBI: ChEBI:28617
- HMDB: HMDB0029638
- KEGG: C06758
- BioCyc: CPD-8773
- NCBI MeSH: 4-methylbenzaldehyde
- Wikipedia: 4-Methylbenzaldehyde
- RefMet: RM0051012
- MoNA: HMDB0029638_c_ms_100373
- MoNA: HMDB0029638_c_ms_100374
- MoNA: HMDB0029638_c_ms_100375
- MoNA: HMDB0029638_c_ms_100376
- MoNA: JP004986
- MoNA: JP008704
- Metlin: METLIN_66526
- Coconut NaturalProduct: CNP0234694.0
Class / Ontology
- WishartLab ClassyFire: [Benzoyl derivatives] Benzoyl derivatives
- RefMet: [Benzoyl derivatives] Benzoyl derivatives
- ChEBI: [CHEBI:28617] p-tolualdehyde
| ID | EC Number | Name |
|---|---|---|
| KEGG:R05282 | 1.1.1.90 | 4-methylbenzyl alcohol:NAD+ oxidoreductase |
| KEGG:R05289 | 1.2.1.7 | p-methylbenzaldehyde:NADP+ oxidoreductase |
| Rhea:RHEA:80372 | 4-methylbenzaldehyde + NAD+ + H2O => 4-methylbenzoate + NADH + 2 H+ | |
| Rhea:RHEA:80373 | 4-methylbenzoate + NADH + 2 H+ => 4-methylbenzaldehyde + NAD+ + H2O | |
| Rhea:RHEA:80374 | 4-methylbenzaldehyde + NAD+ + H2O <=> 4-methylbenzoate + NADH + 2 H+ | |
| Rhea:RHEA:80436 | 4-methylbenzyl alcohol + O2 => 4-methylbenzaldehyde + H2O2 | |
| Rhea:RHEA:80437 | 4-methylbenzaldehyde + H2O2 => 4-methylbenzyl alcohol + O2 | |
| Rhea:RHEA:80438 | 4-methylbenzyl alcohol + O2 <=> 4-methylbenzaldehyde + H2O2 | |
| BioCyc:RXN-8581 | 1.1.1.90 | 4-METHYLBENZYL-ALCOHOL + NAD --> PROTON + CPD-8773 + NADH |
| BioCyc:RXN-8582 | 1.2.1.28 | CPD-8773 + NAD + WATER --> 4-TOLUENECARBOXYLATE + NADH + 2 PROTON |
Taxonomy Source
- Artemisia minor [ncbi taxid: 1227633]
- Chenopodium album [ncbi taxid: 3559]
- Choriaster granulatus [ncbi taxid: 2999172]
- Craibiodendron yunnanese [ncbi taxid: ]
- Crocus sativus [ncbi taxid: 82528]
- Dioscorea gracillima [ncbi taxid: 64699]
- Echium rubrum [ncbi taxid: 3046405]
- Eichhornia crassipes [ncbi taxid: ]
- Entada africana [ncbi taxid: 2005481]
- Entada polystachya [ncbi taxid: 489317]
- Fuligo candida [ncbi taxid: 289946]
- Fumaria indica [ncbi taxid: 1464615]
- Hendersonula toruloidea [ncbi taxid: ]
- Homo sapiens [ncbi taxid: 9606]
- Iberis sempervirens [ncbi taxid: 359854]
- Lobelia chinensis [ncbi taxid: 368926]
- Monomeria barbata [ncbi taxid: 1898896]
- Oldenlandia diffusa [ncbi taxid: ]
- Plectranthus nummularius [ncbi taxid: ]
- Pseuduvaria indochinensis [ncbi taxid: 1679246]
- Pteris setuloso-costulata [ncbi taxid: ]
- Roemeria carica [ncbi taxid: ]
- Schumanniophyton magnificum [ncbi taxid: 114490]
- Thiocystis gelatinosa [ncbi taxid: 46450]
- Vitex limonifolia [ncbi taxid: 413483]
Pathway Synthetic
| pathway id | name |
|---|---|
| BioCyc:CAULONA1000_PWY-5429 | p-xylene degradation to p-toluate |
| BioCyc:META_PWY-5429 | 1,4-dimethylbenzene degradation to 4-methylbenzoate |