Dataset
![molecular Image]()
1H--1H correlation spectroscopy (1H-1H COSY)
Chemical Info
| InChI | InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) |
|---|---|
| SMILES | CCCCC(=O)O |
| InChI Key | NQPDZGIKBAWPEJ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
| Exact Mass | 102.132 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/NQPDZGIKBAWPEJ-UHFFFAOYSA-N/CHMO0001150 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/NQPDZGIKBAWPEJ-UHFFFAOYSA-N/CHMO0001150 |
| Version | |
| Author | Alex Johnson |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:24:06.290064 |
| MetadataModified | 2024-09-08T04:24:06.290070 |
| MetadataPublished | 2024-08-07 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–1H correlation spectroscopy |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD008360 | ProbesDrugs |
| GZK92PJM7B | FDA SRS |
| 7991 | PubChem |
| 109-52-4 | ACToR |
| MCULE-2333640078 | Mcule |
| 8237 | NMRShiftDB |
| SCHEMBL5886 | SureChEMBL |
| VALRAC | CCDC |
| J1.504K | Nikkaji |
| VALERIC ACID | rxnorm |
| LMFA01010005 | LipidMaps |
| DTXSID7021655 | EPA CompTox Dashboard |
| 4577 | Brenda |
| 1541 | Brenda |
| 2040 | Brenda |
| 31679 | Brenda |
| 12653 | Brenda |
| 101794 | Brenda |
| CB2309387 | ChemicalBook |
| MTBLC17418 | Metabolights |
| HMDB0000892 | Human Metabolome Database |
| ZINC000031500905 | ZINC |
| 14818108 | PubChem: Thomson Pharma |
| 101795 | Brenda |
| DB02406 | DrugBank |
| 12618 | Brenda |
| 1061 | Guide to Pharmacology |
| CHEMBL268736 | ChEMBL |
| C00803 | KEGG Ligand |
| 17418 | ChEBI |
| LEA | PDBe |
| 478562 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |