15-deoxy-Δ12,14-Prostaglandin J2-biotin

enlarge

Systematic / IUPAC Name: (5Z,12E,14E)-11-Oxo-N-[5-({5-[(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)pentyl]prosta-5,9,12,14-tetraen-1-amide

ID: Reference4412

Other Names: N-11-Oxo-prosta-5Z,9,12E,14E-tetraen-1-oyl-N’-biotinoyl-1,5-diaminopentane ;
Prosta-5,9,12,14-tetraen-1-amide, N-[5-({5-[(3aS,4R,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl}amino)pentyl]-11-oxo-, (5Z,12E,14E)-

Formula: C35H54N4O4S

Class: Endogenous Metabolites

Spectral Data

15-deoxy-Δ12,14-Prostaglandin J2-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 Elite
No. of Spectral Trees 1
No. of Spectra 97
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 4/4/2016 10:19:01 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C35H54N4O4S/c1-2-3-4-5-6-11-18-28-27(22-23-30(28)40)17-10-7-8-12-20-32(41)36-24-15-9-16-25-37-33(42)21-14-13-19-31-34-29(26-44-31)38-35(43)39-34/h6-7,10-11,18,22-23,27,29,31,34H,2-5,8-9,12-17,19-21,24-26H2,1H3,(H,36,41)(H,37,42)(H2,38,39,43)/b10-7-,11-6+,28-18+/t27-,29-,31+,34-/m0/s1
InChI Key NOEWVZWKWVGZJG-FNSZEXNBSA-N
Canonical SMILES CCCCC/C=C/C=C/1\[C@H](C=CC1=O)C/C=C\CCCC(=O)NCCCCCNC(=O)CCCC[C@@H]2[C@@H]3[C@H](CS2)NC(=O)N3
CAS
Splash
Other Names N-11-Oxo-prosta-5Z,9,12E,14E-tetraen-1-oyl-N’-biotinoyl-1,5-diaminopentane ;
Prosta-5,9,12,14-tetraen-1-amide, N-[5-({5-[(3aS,4R,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl}amino)pentyl]-11-oxo-, (5Z,12E,14E)-

In Other Databases

ChemSpider 29342183