Thromboxane B2-biotin

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Systematic / IUPAC Name: (5Z,9β,13E,15S)-9,11,15-Trihydroxy-N-[5-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)pentyl]thromboxa-5,13-dien-1-amide

ID: Reference4404

Other Names: D-erythro-Pentopyranose, 2,4-dideoxy-4-((2Z)-7-{[5-({5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl}amino)pentyl]amino}-7-oxo-2-hepten-1-yl)-5-C-[(1E,3S)-3-hydroxy-1-octen- 1-yl]-, (5R)- ;
TXB2-biotin ;
(Z)-7-{(2R,3S,4S)-4,6-dihydroxy-2-[(S,E)-3-hydroxyoct-1-en-1-yl]tetrahydro-2H-pyran-3-yl}-N-(5-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}pentyl)hept-5-enamide

Formula: C35H60N4O7S

Class: Endogenous Metabolites

Spectral Data

Thromboxane B2-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 82
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/1/2016 12:55:34 PM
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Identificators

InChI InChI=1S/C35H60N4O7S/c1-2-3-7-14-25(40)19-20-29-26(28(41)23-33(44)46-29)15-8-4-5-9-17-31(42)36-21-12-6-13-22-37-32(43)18-11-10-16-30-34-27(24-47-30)38-35(45)39-34/h4,8,19-20,25-30,33-34,40-41,44H,2-3,5-7,9-18,21-24H2,1H3,(H,36,42)(H,37,43)(H2,38,39,45)/b8-4-,20-19+/t25-,26-,27-,28-,29+,30-,33?,34-/m0/s1
InChI Key HUDAMYXUDLGXNK-BUZULNEHSA-N
Canonical SMILES O[C@@H]1[C@H](C/C=C\CCCC(NCCCCCNC(CCCC[C@H]2[C@]3([H])[C@](NC(N3)=O)([H])CS2)=O)=O)[C@@H](/C=C/[C@@H](O)CCCCC)OC(O)C1
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Other Names D-erythro-Pentopyranose, 2,4-dideoxy-4-((2Z)-7-{[5-({5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl}amino)pentyl]amino}-7-oxo-2-hepten-1-yl)-5-C-[(1E,3S)-3-hydroxy-1-octen- 1-yl]-, (5R)- ;
TXB2-biotin ;
(Z)-7-{(2R,3S,4S)-4,6-dihydroxy-2-[(S,E)-3-hydroxyoct-1-en-1-yl]tetrahydro-2H-pyran-3-yl}-N-(5-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}pentyl)hept-5-enamide

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