Prostaglandin D3

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Systematic / IUPAC Name: (5Z,9α,13E,15S,17Z)-9,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid

ID: Reference9804

Other Names: PGD3;
(5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid;
(5Z,13E,15S,17Z)-9α,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oate;
(5Z,13E,15S,17Z)-9α,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid;
9α,15S-Dihydroxy-11-oxo-prosta-5Z,13E,17Z-trien-1-oic acid ; more

Formula: C20H30O5

Class: Endogenous Metabolites

Spectral Data

Prostaglandin D3 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 Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 988
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/25/2020 6:43:56 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H30O5/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/h3-4,6-7,12-13,15-18,21-22H,2,5,8-11,14H2,1H3,(H,24,25)/b6-3-,7-4-,13-12+/t15-,16+,17+,18-/m0/s1
InChI Key ANOICLBSJIMQTA-WXGBOJPQSA-N
Canonical SMILES CCC=CCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O
CAS 71902471
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Other Names PGD3;
(5Z)-7-[(1R,2R,5S)-5-Hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-3-oxocyclopentyl]hept-5-enoic acid;
(5Z,13E,15S,17Z)-9α,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oate;
(5Z,13E,15S,17Z)-9α,15-Dihydroxy-11-oxoprosta-5,13,17-trien-1-oic acid;
9α,15S-Dihydroxy-11-oxo-prosta-5Z,13E,17Z-trien-1-oic acid;
9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoate;
9S,15S-Dihydroxy-11-oxo-5Z,13E,17Z-prostatrienoic acid;
Prosta-5,13,17-trien-1-oicacid,9,15-dihydroxy-11-oxo-,(5Z,9a,13E,15S,17Z)-

In Other Databases

ChEBI CHEBI:34939
ChemSpider 4445434
HMDb HMDB0003034
PubChem 5282260
KEGG C13802