Dataset
Phosphatidylcholine 18:2-20:5 / 18:3-20:4
Chemical Info
InChI | InChI=1S/2C46H78NO8P/c2*1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h16,18-19,21-23,26-29,32-35,44H,6-15,17,20,24-25,30-31,36-43H2,1-5H3;10,12,16,18,22-23,26-29,32-35,44H,6-9,11,13-15,17,19-21,24-25,30-31,36-43H2,1-5H3/b18-16-,21-19-,23-22-,28-26-,29-27-,34-32-,35-33-;12-10-,18-16-,23-22-,28-26-,29-27-,34-32-,35-33- |
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SMILES | CCCCCCCCCC/C=C\C/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC.CCCCCCC/C=C\C/C=C\C/C=C\CCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC |
InChI Key | FEZACRKYFXMAHY-MYAPYCJSSA-N |
Molecular Formula | C92H156N2O16P2 |
Exact Mass | 1607.093 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-Chubu_Univ-UT002311 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:47:16.465011 |
MetadataModified | 2025-02-09T09:11:54.359173 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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134729236 | PubChem |
The data in this table is sourced from UniChem at EBI. |