Prostaglandin E2-biotin

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

ID: Reference4877

Other Names: Prosta-5,13-dien-1-amide, N-[5-({5-[(3aS,4R,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl}amino)pentyl]-11,15-dihydroxy-9-oxo, (5Z,11α,13E,15S)- ;
PGE2-biotin

Formula: C35H58N4O6S

Spectral Data

Prostaglandin E2-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 6302
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers IT; FT
Last Modification 5/19/2016 5:34:35 AM
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Identificators

InChI InChI=1S/C35H58N4O6S/c1-2-3-7-14-25(40)19-20-27-26(29(41)23-30(27)42)15-8-4-5-9-17-32(43)36-21-12-6-13-22-37-33(44)18-11-10-16-31-34-28(24-46-31)38-35(45)39-34/h4,8,19-20,25-28,30-31,34,40,42H,2-3,5-7,9-18,21-24H2,1H3,(H,36,43)(H,37,44)(H2,38,39,45)/b8-4-,20-19+/t25-,26+,27+,28-,30+,31+,34-/m0/s1
InChI Key PREZBUUQJJPPFV-VTPUZKRBSA-N
Canonical SMILES CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]2[C@@H]3[C@H](CS2)NC(=O)N3)O)O
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Other Names Prosta-5,13-dien-1-amide, N-[5-({5-[(3aS,4R,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl}amino)pentyl]-11,15-dihydroxy-9-oxo, (5Z,11α,13E,15S)- ;
PGE2-biotin

In Other Databases

ChemSpider 29341669