estrone sulfate (Q5401864)

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chemical compound

Estrone bisulfate
Estrone sulfate
Estrone hydrogen sulfate
Estrone-3-sulphate
Estrone, hydrogen sulfate
Estra-1,3,5 (10)-triene-17-one-3-yl-sulfate
Estrone 3-sulfate
estrone sulphate
Estrone hemisulfate

Language	Label	Description	Also known as
English	estrone sulfate	chemical compound	Estrone bisulfate Estrone sulfate Estrone hydrogen sulfate Estrone-3-sulphate Estrone, hydrogen sulfate Estra-1,3,5 (10)-triene-17-one-3-yl-sulfate Estrone 3-sulfate estrone sulphate Estrone hemisulfate

Statements

type of chemical entity

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chemical structure

Estrone sulfate.svg
512 × 268; 26 KB

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image of molecular model or crystal lattice model

Estrone sulfate 3D spacefill.png
2,000 × 1,245; 448 KB

space-filling model

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350.118795 dalton

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

stereoisomer of

sulfuric acid [(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₂O₅S

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

canonical SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

3 references

Recon 2.2: from reconstruction to model of human metabolism

Estrone sulfate is a major source of local estrogen formation in human bone

A community-driven global reconstruction of human metabolism.

Phaseolus vulgaris

1 reference

Metabolomics and Transcriptomics Identify Multiple Downstream Targets of Paraburkholderia phymatum σ54 During Symbiosis with Phaseolus vulgaris.

1 reference

Estrone-3-sulphate, a potential novel ligand for targeting breast cancers.

physically interacts with

Solute carrier organic anion transporter family member 1B1

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

17 August 2016

subject has role

primary metabolite

1 reference

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

Commons category

Estrone sulfate

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Identifiers

InChI=1S/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)/t14-,15-,16+,18+/m1/s1

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

JKKFKPJIXZFSSB-CBZIJGRNSA-N

2 references

language of work or name

Estrone sulfate (English)

21 September 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

29 September 2015

JKKFKPJIXZFSSB-CBZIJGRNSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=481-97-0

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

1 reference

language of work or name

Estrone sulfate (English)

21 September 2016

Reaxys registry number

2399598

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mapping relation type

1 reference

language of work or name

ESTRONE SULFURIC ACID (English)

21 September 2016

1 reference

language of work or name

ESTRONE SULFURIC ACID (English)

21 September 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

DTXCID401030602

0 references

207-575-9

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate (English)

CAS no.: 481-97-0 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate (English)

CAS no.: 481-97-0 (English)

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

estrone-3-sulphate (English)

21 September 2016

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

language of work or name

Estrone sulfate (English)

publication date

3 July 2018

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

1 reference

based on heuristic

inferred from InChIKey

0 references

Probes And Drugs ID

0 references

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

0 references

Microsoft Academic ID

0 references

1 reference

26 January 2022

https://docs.openalex.org/download-snapshot/snapshot-data-format

Sitelinks

Wikipedia(8 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Estrone sulfate

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