Dataset
Oleic acid 400 MHz in CDCl3 NMR data.2d
Chemical Info
InChI | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- |
---|---|
SMILES | CCCCCCCC/C=C\CCCCCCCC(=O)O |
InChI Key | ZQPPMHVWECSIRJ-KTKRTIGZSA-N |
Molecular Formula | C18H34O2 |
Exact Mass | 282.500 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p33.s212.d1128 |
License URL | https://creativecommons.org/publicdomain/zero/1.0/legalcode |
Source | https://nmrxiv.org/D1128 |
Version | |
Author | Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T17:01:04.099205 |
MetadataModified | 2024-09-23T09:36:57.587329 |
MetadataPublished | 2023-12-21 14:26:13 |
Field | Value |
---|---|
Measurement Technique | 2d |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
87550986 | PubChem: Drugs of the Future |
C00712 | KEGG Ligand |
CHEMBL8659 | ChEMBL |
1054 | Guide to Pharmacology |
16196 | ChEBI |
OLA | PDBe |
476169 | eMolecules |
50150484 | BindingDB |
OLEIC ACID | DailyMed |
OLEATE | rxnorm |
OLEIC ACID | rxnorm |
OLEIC ACID | clinicaltrials |
HY-N1446 | MedChemExpress |
ZINC000006845860 | ZINC |
DTXSID1025809 | EPA CompTox Dashboard |
3400 | DrugCentral |
LMFA01030002 | LipidMaps |
488 | Brenda |
20918 | Brenda |
183037 | Brenda |
oleic acid | DailyMed |
CB7228241 | ChemicalBook |
HMDB0000207 | Human Metabolome Database |
121942 | Brenda |
195593 | Brenda |
108791 | Brenda |
380 | Brenda |
48915 | Brenda |
34805 | Brenda |
MTBLC16196 | Metabolights |
10008720 | NMRShiftDB |
SCHEMBL1138 | SureChEMBL |
OLECAC | CCDC |
J2.460K | Nikkaji |
14750979 | PubChem: Thomson Pharma |
PD011439 | ProbesDrugs |
2UMI9U37CP | FDA SRS |
445639 | PubChem |
68412-07-7 | ACToR |
The data in this table is sourced from UniChem at EBI. |