12-Prostaglandin D2

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Systematic / IUPAC Name: (5Z,9α,12E,15S)-9,15-Dihydroxy-11-oxoprosta-5,12-dien-1-oic acid

ID: Reference9884

Other Names: δ12-Prostaglandin D2;
9α,15S-Dihydroxy-11-oxo-prosta-5Z,12E-dien-1-oic acid;
9S,15S-Dihydroxy-11-oxo-5Z,12E-prostadienoic acid;
Prosta-5,12-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-α,12E,15S)-;
Prosta-5,12-dien-1-oicacid,9,15-dihydroxy-11-oxo-,(5Z,9a,12E,15S)-

Formula: C20H32O5

Class: Endogenous Metabolites

Spectral Data

12-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 1
No. of Spectra 562
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/21/2020 10:25:18 AM
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Identificators

InChI InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,13,15-16,18,21-22H,2-3,5-6,8-12,14H2,1H3,(H,24,25)/b7-4-,17-13+/t15-,16+,18-/m0/s1
InChI Key OBTVQKDILGZFPY-WBYUMCMISA-N
Canonical SMILES CCCCCC(CC=C1C(C(CC1=O)O)CC=CCCCC(=O)O)O
CAS 64072895
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Other Names δ12-Prostaglandin D2;
9α,15S-Dihydroxy-11-oxo-prosta-5Z,12E-dien-1-oic acid;
9S,15S-Dihydroxy-11-oxo-5Z,12E-prostadienoic acid;
Prosta-5,12-dien-1-oic acid, 9,15-dihydroxy-11-oxo-, (5Z,9-α,12E,15S)-;
Prosta-5,12-dien-1-oicacid,9,15-dihydroxy-11-oxo-,(5Z,9a,12E,15S)-;
Δ12-PGD2

In Other Databases

ChemSpider 4446219
ChemIDPlus 064072895
ChEMBL CHEMBL163786
PubChem 5283093