Linoleic acid-biotin

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Systematic / IUPAC Name: (9Z,12Z)-N-[5-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)pentyl]-9,12-octadecadienamide

ID: Reference6665

Other Names: 9Z,12Z-Octadecadienoyl-N’-biotinoyl-1,5-diaminopentane

Formula: C28H48N4O3S

Spectral Data

Linoleic acid-biotin 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 4
No. of Spectra 8898
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 7/27/2017 11:45:22 AM
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Identificators

InChI InChI=1S/C33H58N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23-30(38)34-25-20-16-21-26-35-31(39)24-19-18-22-29-32-28(27-41-29)36-33(40)37-32/h6-7,9-10,28-29,32H,2-5,8,11-27H2,1H3,(H,34,38)(H,35,39)(H2,36,37,40)/b7-6-,10-9-/t28-,29-,32-/m0/s1
InChI Key TXYWCIYPXRNWJU-MJDXKYDGSA-N
Canonical SMILES CCCCCC=CCC=CCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2
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Other Names 9Z,12Z-Octadecadienoyl-N’-biotinoyl-1,5-diaminopentane

In Other Databases

ChemSpider 21467803
PubChem 71684623