Dataset
Behenic acid
Chemical Info
InChI | InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24) |
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SMILES | C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H] |
InChI Key | UKMSUNONTOPOIO-UHFFFAOYSA-N |
Molecular Formula | C22H44O2 |
Exact Mass | 340.334 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003888 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:57.259679 |
MetadataModified | 2024-01-11T12:35:57.428088 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
15026051 | PubChem: Thomson Pharma |
8215 | PubChem |
60018604 | NMRShiftDB |
112-85-6 | ACToR |
PD020790 | ProbesDrugs |
H390488X0A | FDA SRS |
MCULE-1752034684 | Mcule |
SCHEMBL6579 | SureChEMBL |
J2.461I | Nikkaji |
HY-W013049 | MedChemExpress |
DTXSID3026930 | EPA CompTox Dashboard |
3855 | DrugCentral |
LMFA01010022 | LipidMaps |
BEHENIC ACID | rxnorm |
ZZZOLM | CCDC |
EO3 | PDBe |
50488776 | BindingDB |
BEHENATE | rxnorm |
ZINC000006920378 | ZINC |
195432 | Brenda |
CB1283121 | ChemicalBook |
MTBLC28941 | Metabolights |
9426 | Brenda |
LSM-45755 | LINCS |
HMDB0000944 | Human Metabolome Database |
C08281 | KEGG Ligand |
CHEMBL1173474 | ChEMBL |
28941 | ChEBI |
479405 | eMolecules |
The data in this table is sourced from UniChem at EBI. |