Dataset
Biotin
Chemical Info
InChI | InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 |
---|---|
SMILES | OC(=O)CCCC[C@H](S1)[C@@]([H])(N2)[C@@]([H])(NC(=O)2)C1 |
InChI Key | YBJHBAHKTGYVGT-ZKWXMUAHSA-N |
Molecular Formula | C10H16N2O3S |
Exact Mass | 244.088 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00019 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:35:58.356459 |
MetadataModified | 2024-01-11T16:35:58.519742 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL857 | ChEMBL |
15956 | ChEBI |
BTN | PDBe |
DB00121 | DrugBank |
C00120 | KEGG Ligand |
BIOTIN | DailyMed |
BIOTIN | rxnorm |
D-BIOTIN | rxnorm |
BIOTIN | clinicaltrials |
MD-1003 | clinicaltrials |
HY-B0511 | MedChemExpress |
12 | BindingDB |
DTXSID7022679 | EPA CompTox Dashboard |
373 | DrugCentral |
SCHEMBL8763 | SureChEMBL |
4787 | Guide to Pharmacology |
J94.599D | Nikkaji |
BIOTIN | CCDC |
MCULE-7440963355 | Mcule |
1970569 | eMolecules |
481810 | eMolecules |
12729 | Brenda |
20214 | Brenda |
MTBLC15956 | Metabolights |
143 | Brenda |
HMDB0000030 | Human Metabolome Database |
ZINC000035024346 | ZINC |
CB3271542 | ChemicalBook |
29884 | Brenda |
biotin | DailyMed |
biotin-vitamin-b7 | Selleck |
PA448625 | PharmGKB |
15720-24-8 | ACToR |
56846-45-8 | ACToR |
LSM-3994 | LINCS |
6SO6U10H04 | FDA SRS |
PD010231 | ProbesDrugs |
60018865 | NMRShiftDB |
171548 | PubChem |
14823272 | PubChem: Thomson Pharma |
14798470 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |