7(S),17(S)-Dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid

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Systematic / IUPAC Name: (7S,8E,10Z,13Z,15E,17S,19Z)-7,17-Dihydroxy-8,10,13,15,19-docosapentaenoic acid

ID: Reference6763

Other Names: 7,17-Dihydroxy-8E,10Z,13Z,15E,19Z-docosapentaenoic acid

Formula: C22H34O4

Spectral Data

7(S),17(S)-Dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-docosapentaenoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 2415
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/28/2017 7:46:34 AM
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Identificators

InChI InChI=1S/C22H34O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-12,16-17,20-21,23-24H,2,4,9,13-15,18-19H2,1H3,(H,25,26)/b7-5-,8-6-,10-3-,16-11+,17-12+/t20-,21+/m0/s1
InChI Key JUBMLVBCKBUAQW-STWMVWSJSA-N
Canonical SMILES CCC=CCC(C=CC=CCC=CC=CC(CCCCCC(=O)O)O)O
CAS 887752138
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Other Names 7,17-Dihydroxy-8E,10Z,13Z,15E,19Z-docosapentaenoic acid

In Other Databases

PubChem 91886114
ChemSpider 29763699