13,14-dihydro-15-keto-tetranor Prostaglandin D2

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Systematic / IUPAC Name: 3-[(1R,2R,5S)-5-Hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]propanoic acid

ID: Reference9806

Other Names: 9α-Hydroxy-11,15-dioxo-2,3,4,5-tetranor-prostanoic acid

Formula: C16H26O5

Class: Endogenous Metabolites

Spectral Data

13,14-dihydro-15-keto-tetranor Prostaglandin D2 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 Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 488
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 7/2/2020 4:31:38 PM
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Identificators

InChI InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h12-13,15,19H,2-10H2,1H3,(H,20,21)/t12-,13-,15+/m1/s1
InChI Key CIXGXJHOQWHINC-NFAWXSAZSA-N
Canonical SMILES CCCCCC(=O)CCC1C(C(CC1=O)O)CCC(=O)O
CAS 1204116697
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Other Names 9α-Hydroxy-11,15-dioxo-2,3,4,5-tetranor-prostanoic acid

In Other Databases

ChemSpider 29763703
PubChem 44600450