(Q27088353)

English

PGJ2

chemical compound

9-deoxy-delta-9-prostaglandin D2
prostaglandin J2
9-Deoxy-delta-9-pgd2
11-Oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoate
11-Oxo-15S-hydroxy-5Z,8Z,13E-prostatrienoic acid
(5Z)-7-[(1S,5R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

In more languages

default for all languages

No label defined

No description defined

Statements

type of chemical entity

0 references

0 references

334.214409±0 dalton

1 reference

language of work or name

prostaglandin J2 (English)

3 October 2016

stereoisomer of

15S-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8S,12S]

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

7-[(1S,5R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

15R-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8S,12S]

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

15S-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8R,12R]

1 reference

based on heuristic

inferred from InChI

(Z)-7-[(1S,5R)-5-[(E,3R)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid

1 reference

based on heuristic

inferred from InChI

11-oxo-15S-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8R,12S]

1 reference

based on heuristic

inferred from InChI

15R-hydroxy-11-oxo-5Z,9,13E-prostatrienoic acid-cyclo[8R,12R]

1 reference

based on heuristic

inferred from InChI

11-oxo-15R-hydroxy-5Z,9,13E-prostatrienoic acid-cyclo[8R,12S]

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₄

1 reference

language of work or name

prostaglandin J2 (English)

3 October 2016

canonical SMILES

CCCCCC(C=CC1C(C=CC1=O)CC=CCCCC(=O)O)O

1 reference

language of work or name

prostaglandin J2 (English)

3 October 2016

isomeric SMILES

CCCCC[C@@H](/C=C/[C@@H]1[C@H](C=CC1=O)C/C=C\CCCC(=O)O)O

1 reference

language of work or name

prostaglandin J2 (English)

3 October 2016

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

subject has role

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

primary metabolite

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1

1 reference

language of work or name

prostaglandin J2 (English)

3 October 2016

UQOQENZZLBSFKO-POPPZSFYSA-N

2 references

language of work or name

prostaglandin J2 (English)

3 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

prostaglandin J2 (English)

3 October 2016

UQOQENZZLBSFKO-POPPZSFYSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=60203-57-8

1 reference

language of work or name

PGJ2 (English)

3 October 2016

2 references

language of work or name

prostaglandin J2 (English)

3 October 2016

matched by identifier from

UQOQENZZLBSFKO-POPPZSFYSA-N

Reaxys registry number

8353080

1 reference

language of work or name

prostaglandin J2 (English)

3 October 2016

mapping relation type

2 references

language of work or name

prostaglandin J2 (English)

3 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-13+/t16-,17-,18+/m0/s1

1 reference

language of work or name

CHEMBL1397260 (English)

3 October 2016

UniChem compound ID

1 reference

MassBank accession ID

0 references

0 references

0 references

0 references

0 references

0 references

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0 references

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splash10-00xr-0097000000-d507bda3b27e80eb9966

0 references

splash10-00di-0094000000-f6f67078fe3ecda59341

0 references

splash10-00di-0091000000-240dba66bc1f4401b0c1

0 references

splash10-00di-0090000000-1cb619054c8aa83a868d

0 references

splash10-0fk9-0190000000-505725a881b9d2e93ec9

0 references

splash10-0uk9-0290000000-de982b17f44086e4d4ae

0 references

splash10-0udi-0590000000-8f4c01a7293ad0cf7235

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splash10-0uka-0950000000-219ff8b09fa3a4091f0e

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splash10-0a4i-0009000000-ac5fd5458505a22356ee

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splash10-0v0d-0930000000-ec4978ca0ff0361f85eb

0 references

splash10-0002-1910000000-87689573229eee9448ba

0 references

DSSTox substance ID

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

UQOQENZZLBSFKO-POPPZSFYSA-N

DSSTOX compound identifier

0 references

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

PGJ2 (English)

3 October 2016

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

UQOQENZZLBSFKO-POPPZSFYSA-N

Probes And Drugs ID

0 references

0 references

1 reference

based on heuristic

inferred by common MeSH mappings on source and on Wikidata

25 May 2023

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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