Dataset
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. |