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
default for all languages	No label defined
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

2 references

language of work or name

Estrone sulfate (English)

21 September 2016

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

Reaxys registry number

2399598

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mapping relation type

2 references

language of work or name

ESTRONE SULFURIC ACID (English)

21 September 2016

matched by identifier from

International Chemical Identifier

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 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

1 reference

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

DSSTOX compound identifier

DTXCID401030602

0 references

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

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

1 reference

matched by identifier from

JKKFKPJIXZFSSB-CBZIJGRNSA-N

Probes And Drugs ID

0 references

1 reference

1 reference

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

30 June 2018

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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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