Dataset
![molecular Image]()
Folic acid
Chemical Info
| InChI | InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N |
| InChI Key | OVBPIULPVIDEAO-LBPRGKRZSA-N |
| Molecular Formula | C19H19N7O6 |
| Exact Mass | 441.140 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00986 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:21:11.884556 |
| MetadataModified | 2025-02-09T20:10:14.838609 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 56310593 | PubChem: Drugs of the Future |
| C00504 | KEGG Ligand |
| DB00158 | DrugBank |
| CHEMBL1622 | ChEMBL |
| SAM002264616 | NIH Clinical Collection |
| 27470 | ChEBI |
| FOL | PDBe |
| FOLIC ACID | DailyMed |
| 50367343 | BindingDB |
| 50237629 | BindingDB |
| FOLIC ACID | rxnorm |
| FOLACIN | rxnorm |
| FOLATE | rxnorm |
| FOLACIN | clinicaltrials |
| FOLIC ACID | clinicaltrials |
| FOLVITE | clinicaltrials |
| HY-16637 | MedChemExpress |
| 229458 | Brenda |
| DTXSID0022519 | EPA CompTox Dashboard |
| 1231 | DrugCentral |
| 4562 | Guide to Pharmacology |
| 4563 | Guide to Pharmacology |
| J1.392G | Nikkaji |
| FOLCAH | CCDC |
| 229457 | Brenda |
| 14857129 | PubChem: Thomson Pharma |
| 135398658 | PubChem |
| 935E97BOY8 | FDA SRS |
| PD001427 | ProbesDrugs |
| LSM-5355 | LINCS |
| 33609-88-0 | ACToR |
| 16028504 | PubChem: Thomson Pharma |
| 14930521 | PubChem: Thomson Pharma |
| 16077361 | PubChem: Thomson Pharma |
| 49755686 | PubChem: Thomson Pharma |
| PA449692 | PharmGKB |
| 36758208 | eMolecules |
| 474902 | eMolecules |
| 5748014 | eMolecules |
| 884420 | eMolecules |
| MCULE-1208976029 | Mcule |
| 6037 | PubChem |
| SCHEMBL3876 | SureChEMBL |
| 20096834 | NMRShiftDB |
| 10763 | Brenda |
| 96507 | Brenda |
| 98564 | Brenda |
| 12830 | Brenda |
| 98605 | Brenda |
| 96506 | Brenda |
| 2840 | Brenda |
| 142288 | Brenda |
| 150199 | Brenda |
| 49991 | Brenda |
| 108872 | Brenda |
| 170829 | Brenda |
| 12672 | Brenda |
| 1322 | Brenda |
| 19682 | Brenda |
| HMDB0000121 | Human Metabolome Database |
| CB5100903 | ChemicalBook |
| folic acid | DailyMed |
| 218797 | Brenda |
| ZINC000008577218 | ZINC |
| MTBLC27470 | Metabolights |
| 30367 | Brenda |
| 46495 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |