Tetranor-PGDM

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Systematic / IUPAC Name: 8-[(1R,2R,3S)-2-(2-Carboxyethyl)-3-hydroxy-5-oxocyclopentyl]-6-oxooctanoic acid

ID: Reference9769

Other Names: tetranor-PGD Metabolite;
tetranor-Prosatglandin D Metabolite;
9α-hydroxy-11,15-dioxo-13,14-dihydro-2,3,4,5-tetranor-prostan-1,20-dioic acid

Formula: C16H24O7

Class: Endogenous Metabolites

Spectral Data

Tetranor-PGDM 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 493
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/22/2020 4:11:44 PM
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Identificators

InChI InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,14+/m1/s1
InChI Key VNJBSPJILLFAIC-BZPMIXESSA-N
Canonical SMILES C1C(C(C(C1=O)CCC(=O)CCCCC(=O)O)CCC(=O)O)O
CAS 70803917
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Other Names tetranor-PGD Metabolite;
tetranor-Prosatglandin D Metabolite;
9α-hydroxy-11,15-dioxo-13,14-dihydro-2,3,4,5-tetranor-prostan-1,20-dioic acid

In Other Databases

ChemSpider 28467789
PubChem 44600448