Prostaglandin B1

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Systematic / IUPAC Name: 7-{2-[(E)-3-Hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl}heptanoic acid

ID: Reference563

Other Names: (13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid;
Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-;
9-Oxo-15S-hydroxy-8(12),13E-prostadienoate;
(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-oate;
7-{2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoic acid

Formula: C20H32O4

Class: Endogenous Metabolites

Spectral Data

Prostaglandin B1 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 Elite
No. of Spectral Trees 2
No. of Spectra 623
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 10/12/2016 6:08:47 AM
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Identificators

InChI InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
InChI Key YBHMPNRDOVPQIN-VSOYFRJCSA-N
Canonical SMILES O=C1/C(=C(/C=C/C(O)CCCCC)CC1)CCCCCCC(=O)O
CAS 13345512
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Other Names (13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid;
Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-;
9-Oxo-15S-hydroxy-8(12),13E-prostadienoate;
(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-oate;
7-{2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-1-en-1-yl}heptanoic acid;
Prostaglandin B1

In Other Databases

ChEBI CHEBI:27624
PubChem 5280388
ChEMBL CHEMBL1561148
Wikipedia Prostaglandin
KEGG C00959
LipidsMAPs LMFA03010131
HMDb HMDB02982
ChemIDPlus 013345512
ChemSpider 4444076