Dataset
![molecular Image]()
Isopropylacetic acid, 3-Methylbutanoic acid, Isovalerate, Delphinic acid, 3-Methylbutyric acid, Isovaleric Acid, 3-Methylbutyrate, Isovaieric acid, Isovalerianic acid, iso-Pentanoic acid, beta-Methylbutyric acid
Chemical Info
| InChI | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
|---|---|
| SMILES | CC(C)CC(=O)O |
| InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
| Exact Mass | 102.133 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS095401 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:29:54.914966 |
| MetadataModified | 2025-02-09T19:05:56.761997 |
| MetadataPublished | 2009-02-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL43436 | SureChEMBL |
| 10018374 | NMRShiftDB |
| MCULE-5805071360 | Mcule |
| HMDB0000718 | Human Metabolome Database |
| 124397 | Brenda |
| 57503 | Brenda |
| 4021 | Brenda |
| 166562 | Brenda |
| 13186 | Brenda |
| MTBLC28484 | Metabolights |
| 98008 | Brenda |
| 148286 | Brenda |
| 10430 | PubChem |
| PD007270 | ProbesDrugs |
| 5560 | Brenda |
| 1BR7X184L5 | FDA SRS |
| 15264735 | PubChem: Thomson Pharma |
| 92634-50-9 | ACToR |
| 35915-22-1 | ACToR |
| 503-74-2 | ACToR |
| 480375 | eMolecules |
| 28484 | ChEBI |
| CHEMBL568737 | ChEMBL |
| C08262 | KEGG Ligand |
| DB03750 | DrugBank |
| IVA | PDBe |
| DTXSID5029182 | EPA CompTox Dashboard |
| LMFA01020181 | LipidMaps |
| ZINC000000388188 | ZINC |
| J2.605K | Nikkaji |
| INUJUW | CCDC |
| HY-W012980 | MedChemExpress |
| CB8729604 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |