Dataset
Nicotinic acid, 59-67-6.hmbc
Chemical Info
InChI | InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9) |
---|---|
SMILES | O=C(O)C1=CN=CC=C1 |
InChI Key | PVNIIMVLHYAWGP-UHFFFAOYSA-N |
Molecular Formula | C6H5NO2 |
Exact Mass | 123.110 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p12.s73.d425 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D425 |
Version | |
Author | Mohr J, Porwal D, Chatterjee I, Oestreich M. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:47:10.491844 |
MetadataModified | 2024-09-23T09:35:44.516250 |
MetadataPublished | 2022-11-09 09:57:24 |
Field | Value |
---|---|
Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
117629482 | PubChem |
DTXSID1020932 | EPA CompTox Dashboard |
2835 | DrugCentral |
ZINC000000001795 | ZINC |
23515 | BindingDB |
NIACIN | DailyMed |
NIACOR | rxnorm |
NIACIN | rxnorm |
NIASPAN | rxnorm |
NIACIN | clinicaltrials |
NIACOR | clinicaltrials |
WAMPOCAP | clinicaltrials |
NIASPAN | clinicaltrials |
NICOTINIC ACID | clinicaltrials |
NICOLAR | clinicaltrials |
HY-B0143 | MedChemExpress |
43365 | Brenda |
221654 | Brenda |
niacin | DailyMed |
CB0276607 | ChemicalBook |
51559 | Brenda |
HMDB0001488 | Human Metabolome Database |
1282 | Brenda |
107144 | Brenda |
1029 | Brenda |
MTBLC15940 | Metabolights |
11184 | Brenda |
171408 | Brenda |
43567 | Brenda |
50899 | Brenda |
143710 | Brenda |
145298 | Brenda |
45153 | Brenda |
938 | PubChem |
PD001840 | ProbesDrugs |
SCHEMBL16147135 | SureChEMBL |
nicotinic acid | Atlas |
2679MF687A | FDA SRS |
LSM-4676 | LINCS |
123574-58-3 | ACToR |
59-67-6 | ACToR |
PA450617 | PharmGKB |
Niacin(Nicotinic-acid) | Selleck |
15146539 | PubChem: Thomson Pharma |
J2.809F | Nikkaji |
MCULE-3788394698 | Mcule |
SCHEMBL1433 | SureChEMBL |
NICOAC | CCDC |
20027733 | NMRShiftDB |
CHEMBL573 | ChEMBL |
15940 | ChEBI |
1594 | Guide to Pharmacology |
1588 | Guide to Pharmacology |
DB00627 | DrugBank |
C00253 | KEGG Ligand |
87550957 | PubChem: Drugs of the Future |
NIO | PDBe |
SAM002554917 | NIH Clinical Collection |
503323 | eMolecules |
28295293 | eMolecules |
The data in this table is sourced from UniChem at EBI. |