Dataset
Kynurenine
Chemical Info
InChI | InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15) |
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SMILES | C1=CC=C(C(=C1)C(=O)CC(C(=O)O)N)N |
InChI Key | YGPSJZOEDVAXAB-UHFFFAOYSA-N |
Molecular Formula | C10H12N2O3 |
Exact Mass | 208.085 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81551 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:27:11.970491 |
MetadataModified | 2024-01-11T22:27:12.135584 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
28683 | ChEBI |
C01718 | KEGG Ligand |
CHEMBL1377927 | ChEMBL |
524685 | eMolecules |
MCULE-6365994952 | Mcule |
HY-W014504 | MedChemExpress |
298M20B2AU | FDA SRS |
207738 | Brenda |
CB5235360 | ChemicalBook |
MTBLC28683 | Metabolights |
25245862 | PubChem |
846 | PubChem |
60023507 | NMRShiftDB |
PD001537 | ProbesDrugs |
15389952 | PubChem: Thomson Pharma |
3039-10-9 | ACToR |
2126-91-2 | ACToR |
343-65-7 | ACToR |
SCHEMBL20874 | SureChEMBL |
J5.688J | Nikkaji |
HMDB0250769 | Human Metabolome Database |
The data in this table is sourced from UniChem at EBI. |