Dataset
LEVULINIC ACID
Chemical Info
InChI | InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8) |
---|---|
SMILES | CC(=O)CCC(O)=O |
InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
Molecular Formula | C5H8O3 |
Exact Mass | 116.047 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP010606 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T15:56:11.582555 |
MetadataModified | 2024-01-11T15:56:11.741760 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
11579 | PubChem |
PD008114 | ProbesDrugs |
15188728 | PubChem: Thomson Pharma |
123-76-2 | ACToR |
RYX5QG61EI | FDA SRS |
MCULE-1392778065 | Mcule |
SCHEMBL20868 | SureChEMBL |
J10.067F | Nikkaji |
10008922 | NMRShiftDB |
45630 | ChEBI |
DTXSID8021648 | EPA CompTox Dashboard |
LMFA01060006 | LipidMaps |
ZINC000000586584 | ZINC |
NIPPEJ | CCDC |
82191 | BindingDB |
LEVULINIC ACID | DailyMed |
HY-Y0839 | MedChemExpress |
CALCIUM LEVULINATE | rxnorm |
LEVULINIC ACID | clinicaltrials |
CALCIUM LAEVULINATE | clinicaltrials |
CALCIUM LEVULINATE | clinicaltrials |
MAGNESIUM DIASPORAL | clinicaltrials |
MAGNESIUM LEVULINATE | clinicaltrials |
LEVULINIC ACID | rxnorm |
100859 | Brenda |
166631 | Brenda |
50078 | Brenda |
CB3213533 | ChemicalBook |
8266 | Brenda |
HMDB0000720 | Human Metabolome Database |
56601 | Brenda |
MTBLC45630 | Metabolights |
SHF | PDBe |
DB02239 | DrugBank |
CHEMBL1235931 | ChEMBL |
711531 | eMolecules |
The data in this table is sourced from UniChem at EBI. |