Dataset
9E, 11E-Linoleic 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/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,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 | JBYXPOFIGCOSSB-XBLVEGMJSA-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-BS004010 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:36:19.200418 |
MetadataModified | 2024-01-11T12:36:19.352047 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
J895.380E | Nikkaji |
J612.390B | Nikkaji |
SCHEMBL288695 | SureChEMBL |
CHEMBL4529739 | ChEMBL |
88464 | ChEBI |
DTXSID60873030 | EPA CompTox Dashboard |
K3BO6AJ7F7 | FDA SRS |
CB11029405 | ChemicalBook |
HMDB0005047 | Human Metabolome Database |
37363 | Brenda |
149453 | Brenda |
LMFA01030119 | LipidMaps |
ZINC000013949541 | ZINC |
5750756 | eMolecules |
14824460 | PubChem: Thomson Pharma |
121250-47-3 | ACToR |
MTBLC88464 | Metabolights |
PD020527 | ProbesDrugs |
60069593 | NMRShiftDB |
5282796 | PubChem |
The data in this table is sourced from UniChem at EBI. |