Arachidonic acid-biotin

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Systematic / IUPAC Name: (5Z,8Z,11Z,14Z)-N-[5-({5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)pentyl]-5,8,11,14-icosatetraenamide

ID: Reference4869

Other Names: 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-(5-{[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino}pentyl), (3aS,4S,6aR)- ;
5Z,8Z,11Z,14Z-Eicosatetraenoyl-N'-biotinoyl-1,5-diaminopentane

Formula: C35H58N4O3S

Spectral Data

Arachidonic acid-biotin 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 Elite
No. of Spectral Trees 1
No. of Spectra 426
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/17/2016 8:13:18 AM
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Identificators

InChI InChI=1S/C35H58N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-32(40)36-27-22-18-23-28-37-33(41)26-21-20-24-31-34-30(29-43-31)38-35(42)39-34/h6-7,9-10,12-13,15-16,30-31,34H,2-5,8,11,14,17-29H2,1H3,(H,36,40)(H,37,41)(H2,38,39,42)/b7-6-,10-9-,13-12-,16-15-/t30-,31-,34-/m0/s1
InChI Key RPYSWRMECJXHSJ-QYXQEGSISA-N
Canonical SMILES CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2
CAS 1217901284
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Other Names 1H-Thieno[3,4-d]imidazole-4-pentanamide, hexahydro-2-oxo-N-(5-{[(5Z,8Z,11Z,14Z)-1-oxo-5,8,11,14-eicosatetraen-1-yl]amino}pentyl), (3aS,4S,6aR)- ;
5Z,8Z,11Z,14Z-Eicosatetraenoyl-N'-biotinoyl-1,5-diaminopentane

In Other Databases

ChemSpider 30646742