Docosahexaenoyl glycine

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Systematic / IUPAC Name: N-[(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoyl]glycine

ID: Reference6892

Other Names: Glycine, N-[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]-;
2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoyl]amino}acetic acid

Formula: C24H35NO3

Spectral Data

Docosahexaenoyl glycine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 2
No. of Spectra 5624
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 10/4/2017 11:00:35 AM
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Identificators

InChI InChI=1S/C24H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(26)25-22-24(27)28/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-22H2,1H3,(H,25,26)(H,27,28)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
InChI Key BEYWKSIFICEQGH-KUBAVDMBSA-N
Canonical SMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCC(=O)O
CAS 132850409
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Other Names Glycine, N-[(4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl]-;
2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoyl]amino}acetic acid

In Other Databases

ChemSpider 8083810
ChEMBL CHEMBL1365657
PubChem 9908158