Dataset

Arachidic acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N100927_9CB7 contains the MS2 mass spectrum of Arachidic acid with the InChIkey VKOBVWXKNCXXDE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
SMILES CCCCCCCCCCCCCCCCCCCC(O)=O
InChI Key VKOBVWXKNCXXDE-UHFFFAOYSA-N
Molecular Formula C20H40O2
Exact Mass 312.303 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N100927_9CB7
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:24.166105
MetadataModified 2024-01-11T09:31:24.339812
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C06425 KEGG Ligand
CHEMBL1173381 ChEMBL
DCR PDBe
478462 eMolecules
10467 PubChem
PD020789 ProbesDrugs
15272314 PubChem: Thomson Pharma
506-30-9 ACToR
PQB8MJD4RB FDA SRS
SCHEMBL6539 SureChEMBL
10008805 NMRShiftDB
SUGYEZ CCDC
MCULE-2888473872 Mcule
J2.607G Nikkaji
ARACHIDIC ACID rxnorm
ARACHIDATE rxnorm
50463966 BindingDB
DTXSID1060134 EPA CompTox Dashboard
ZINC000006920376 ZINC
LMFA01010020 LipidMaps
HY-W004260 MedChemExpress
MTBLC28822 Metabolights
28822 ChEBI
CB8361169 ChemicalBook
HMDB0002212 Human Metabolome Database
52533 Brenda
164215 Brenda
165138 Brenda
8315 Brenda
13148 Brenda
The data in this table is sourced from UniChem at EBI.