Prostaglandin D1

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Systematic / IUPAC Name: (9α,13E,15S)-9,15-Dihydroxy-11-oxoprost-13-en-1-oic acid

ID: Reference9819

Other Names: 11-Dehydro-prostaglandin F1a;
PGD1;
(13E,15S)-9α,15-Dihydroxy-11-oxoprost-13-en-1-oate;
(13E,15S)-9α,15-Dihydroxy-11-oxoprost-13-en-1-oic acid;
2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoate ; more

Formula: C20H34O5

Class: Endogenous Metabolites

Spectral Data

Prostaglandin D1 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 2
No. of Spectra 1695
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/6/2020 2:43:08 PM
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Identificators

InChI InChI=1S/C20H34O5/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/h12-13,15-18,21-22H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,18-/m0/s1
InChI Key CIMMACURCPXICP-PNQRDDRVSA-N
Canonical SMILES CCCCCC(C=CC1C(C(CC1=O)O)CCCCCCC(=O)O)O
CAS 17968820
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Other Names 11-Dehydro-prostaglandin F1a;
PGD1;
(13E,15S)-9α,15-Dihydroxy-11-oxoprost-13-en-1-oate;
(13E,15S)-9α,15-Dihydroxy-11-oxoprost-13-en-1-oic acid;
2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoate;
2-Hydroxy-5-(3S-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid;
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-cyclopentaneheptanoate;
5-Hydroxy-2-(3-hydroxy-1-octenyl)-3-oxocyclopentaneheptanoic acid;
9a,15-Dihydroxy-11-ketoprost-13-enoate;
9a,15-Dihydroxy-11-ketoprost-13-enoic acid;
9α,15S-Dihydroxy-11-oxo-prost-13E-en-1-oic acid;
9S,15S-Dihydroxy-11-oxo-13E-prostaenoate;
9S,15S-Dihydroxy-11-oxo-13E-prostaenoic acid;
Cyclopentaneheptanoic acid, 5-hydroxy-2-(3-hydroxy-1-octenyl)-3-oxo-;
Prost-13-en-1-oic acid, 9,15-dihydroxy-11-oxo-, (9α,13E,15S)-

In Other Databases

HMDb HMDB0005102
KEGG C06438
PubChem 5280936
ChemIDPlus 017968820
ChemSpider 4444438
ChEBI CHEBI:27696
ChEMBL CHEMBL2075005