Dataset
Citric acid, 77-92-9.dept
Chemical Info
InChI | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
---|---|
SMILES | O=C(O)CC(O)(CC(=O)O)C(=O)O |
InChI Key | KRKNYBCHXYNGOX-UHFFFAOYSA-N |
Molecular Formula | C6H8O7 |
Exact Mass | 192.120 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.57992/nmrxiv.p12.s76.d441 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D441 |
Version | |
Author | Mohr J, Porwal D, Chatterjee I, Oestreich M. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:47:26.406619 |
MetadataModified | 2024-09-23T09:35:46.120246 |
MetadataPublished | 2022-11-09 09:57:24 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
10008628 | NMRShiftDB |
19782904 | PubChem |
MCULE-7981253226 | Mcule |
311 | PubChem |
475729 | eMolecules |
1714 | Brenda |
CB9854361 | ChemicalBook |
CB4127749 | ChemicalBook |
2478 | Guide to Pharmacology |
MTBLC30769 | Metabolights |
110131 | Brenda |
131 | Brenda |
54493 | Brenda |
HMDB0000094 | Human Metabolome Database |
PD008874 | ProbesDrugs |
XF417D3PSL | FDA SRS |
77-92-9 | ACToR |
15322278 | PubChem: Thomson Pharma |
PA449021 | PharmGKB |
12262-73-6 | ACToR |
C00158 | KEGG Ligand |
DB04272 | DrugBank |
CHEMBL1261 | ChEMBL |
30769 | ChEBI |
CIT | PDBe |
CITRIC ACID | rxnorm |
CITRIC ACID | DailyMed |
CITRIC ACID MONOHYDRATE | rxnorm |
CITRIC ACID MONOHYDRATE | clinicaltrials |
ANHYDROUS CITRIC ACID | clinicaltrials |
HY-N1428 | MedChemExpress |
CITRIC ACID | clinicaltrials |
CITRIC ACID, ANHYDROUS | clinicaltrials |
E-330 | clinicaltrials |
DTXSID3020332 | EPA CompTox Dashboard |
666 | DrugCentral |
ZINC000000895081 | ZINC |
SCHEMBL842 | SureChEMBL |
J2.824J | Nikkaji |
CITRAC | CCDC |
88113319 | PubChem |
14672 | BindingDB |
CITRIC ACID, ANHYDROUS | rxnorm |
The data in this table is sourced from UniChem at EBI. |