cholesteryl sulfate (Q27075985)

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chemical compound

[(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid
cholest-5-en-3beta-ol sulfate
cholesterol hydrogen sulfate
cholesteryl sulphate
cholesterol 3-sulfate
cholesterol sulphate
5-cholesten-3b-yl sulphate
cholesterol hydrogen sulphate
cholest-5-en-3b-ol sulphate
5-cholesten-3b-yl sulfate
cholesterol 3-sulphate
cholest-5-en-3b-ol sulfate
cholesterol sulfate
cholesterol-sulfate

Language	Label	Description	Also known as
English	cholesteryl sulfate	chemical compound	[(1S,2R,5S,10S,11S,14R,15R)-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid cholest-5-en-3beta-ol sulfate cholesterol hydrogen sulfate cholesteryl sulphate cholesterol 3-sulfate cholesterol sulphate 5-cholesten-3b-yl sulphate cholesterol hydrogen sulphate cholest-5-en-3b-ol sulphate 5-cholesten-3b-yl sulfate cholesterol 3-sulphate cholest-5-en-3b-ol sulfate cholesterol sulfate cholesterol-sulfate

Statements

type of chemical entity

0 references

cholestane steroid

0 references

0 references

466.312±0 dalton

1 reference

language of work or name

Cholesterol sulfate (English)

19 October 2016

stereoisomer of

cholesterol sulfate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₄₆O₄S

1 reference

language of work or name

Cholesterol sulfate (English)

20 November 2016

canonical SMILES

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OS(=O)(=O)O)C)C

1 reference

language of work or name

Cholesterol sulfate (English)

20 November 2016

isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C)C

1 reference

language of work or name

Cholesterol sulfate (English)

20 November 2016

2 references

Recon 2.2: from reconstruction to model of human metabolism

A community-driven global reconstruction of human metabolism.

Eupentacta fraudatrix

1 reference

Biosynthetic studies of marine lipids. 42. Biosynthesis of steroid and triterpenoid metabolites in the sea cucumber Eupentacta fraudatrix

Gorgonocephalus eucnemis

1 reference

Steroid compounds from ophiuroids. III. Sulfated steroids from Gorgonocephalus caryi

1 reference

Steroid compounds from ophiuroids II. Sulfated steroids from Ophiura sarsi and Ophiura leptoctenia

1 reference

Steroid compounds from ophiuroids II. Sulfated steroids from Ophiura sarsi and Ophiura leptoctenia

subject has role

serine proteinase inhibitors

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

anticarcinogens

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

Identifiers

InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

1 reference

language of work or name

Cholesterol sulfate (English)

20 November 2016

BHYOQNUELFTYRT-DPAQBDIFSA-N

2 references

language of work or name

Cholesterol sulfate (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

Global Substance Registration System

language of work or name

cholesteryl sulfate (English)

20 November 2016

BHYOQNUELFTYRT-DPAQBDIFSA-N

CAS Common Chemistry

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1256-86-6

1 reference

language of work or name

Cholesterol hydrogen sulfate (English)

20 November 2016

1 reference

language of work or name

Cholesterol sulfate (English)

20 November 2016

Reaxys registry number

3225885

0 references

mapping relation type

2 references

language of work or name

CHEMBL1231592 (English)

20 November 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C27H46O4S/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-32(28,29)30)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25H,6-8,10-17H2,1-5H3,(H,28,29,30)/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

1 reference

language of work or name

CHEMBL1231592 (English)

20 November 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHYOQNUELFTYRT-DPAQBDIFSA-N

UniChem compound ID

1 reference

splash10-014i-0000900000-7a511fae1b9c9c3ae716

0 references

splash10-014i-1000900000-c804c1920be98c205e26

0 references

Guide to Pharmacology Ligand ID

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

language of work or name

cholesterol sulphate (English)

20 November 2016

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

language of work or name

cholesteryl sulfate (English)

20 November 2016

1 reference

language of work or name

Cholesterol sulfate (English)

publication date

3 July 2018

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHYOQNUELFTYRT-DPAQBDIFSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

BHYOQNUELFTYRT-DPAQBDIFSA-N

2 references

Global Substance Registration System

language of work or name

cholesteryl sulfate (English)

20 November 2016

matched by identifier from

BHYOQNUELFTYRT-DPAQBDIFSA-N

Probes And Drugs ID

0 references

1 reference

language of work or name

cholesterol sulfate (English)

19 October 2016

1 reference

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

30 June 2018

0 references

PDB structure ID

1 reference

Protein Data Bank

PDB structure ID

language of work or name

4TRI (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

2Q9F (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

5KWY (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

1S0X (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

2HKA (English)

19 October 2016

1 reference

Protein Data Bank

PDB structure ID

language of work or name

2MZI (English)

19 October 2016

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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