Dataset
Linoelaidic acid
Chemical Info
InChI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6+,10-9+ |
---|---|
SMILES | 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] |
InChI Key | OYHQOLUKZRVURQ-AVQMFFATSA-N |
Molecular Formula | C18H32O2 |
Exact Mass | 280.240 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-BS003986 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:49.014836 |
MetadataModified | 2024-01-11T12:35:49.220329 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5282457 | PubChem |
60019242 | NMRShiftDB |
15467371 | PubChem: Thomson Pharma |
60-33-3 | ACToR |
PD020553 | ProbesDrugs |
75108 | ChEBI |
J294.477D | Nikkaji |
J12.231I | Nikkaji |
SCHEMBL120856 | SureChEMBL |
220312 | Brenda |
DTXSID50897508 | EPA CompTox Dashboard |
HMDB0006270 | Human Metabolome Database |
7552P0K6PN | FDA SRS |
143013 | Brenda |
109345 | Brenda |
MTBLC75108 | Metabolights |
125586 | Brenda |
LMFA01030123 | LipidMaps |
ZINC000003802188 | ZINC |
SCHEMBL18133791 | SureChEMBL |
95231 | Brenda |
CHEMBL93204 | ChEMBL |
969902 | eMolecules |
The data in this table is sourced from UniChem at EBI. |