UCSF

ZINC04096458

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 25 No

Popular Name: Dehydroepiandrosterone sulfate Dehydroepiandrosterone sulfate

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CAS Numbers: 1099-87-2 , 651-48-9 , 78590-17-7 , [1099-87-2]

Other Names:

(3-beta)-3-(Sulfooxy)androst-5-en-17-one; 17-Ketoandrost-5-en-3beta-yl sulfate; 3-O-Sulfodehydroepiandrosterone; 3beta-Hydroxyandrost-5-en-17-one-3-sulfate; 5-Androsten-3beta-sulfate-17-one; Androst-5-en-17-on-3beta-yl sulfuric acid; Androst-5-en-17-one,

(3beta)-3-(sulfooxy)-Androst-5-en-17-one; 17-Oxoandrost-5-en-3-yl hydrogen sulfate; 17-Oxoandrost-5-en-3b-yl hydrogen sulfate; 17-Oxoandrost-5-en-3beta-yl hydrogen sulfate; 3-b-Hydroxyandrost-5-en-17-one 3-sulfate; 3-beta-Hydroxyandrost-5-en-17-one 3-sulf

(3beta)-3-(sulfooxy)-Androst-5-en-17-one;17-Oxoandrost-5-en-3-yl hydrogen sulfate;17-Oxoandrost-5-en-3-yl hydrogen sulphate;17-Oxoandrost-5-en-3b-yl hydrogen sulfate;17-Oxoandrost-5-en-3b-yl hydrogen sulphate;17-Oxoandrost-5-en-3beta-yl hydrogen sulfate;1

(3beta)-3-(sulfooxy)-Androst-5-en-17-one;17-Oxoandrost-5-en-3-yl hydrogen sulfate;17-Oxoandrost-5-en-3b-yl hydrogen sulfate;17-Oxoandrost-5-en-3beta-yl hydrogen sulfate;3-b-Hydroxyandrost-5-en-17-one 3-sulfate;3-beta-Hydroxyandrost-5-en-17-one 3-sulfate;3

ster-

3beta-Hydroxyandrost-5-en-17-one 3-sulfate

3beta-hydroxyandrost-5-en-17-one 3-sulfate(1-)

3beta-hydroxyandrost-5-en-17-one 3-sulfate; 3beta-hydroxyandrost-5-en-17-one 3-sulfate anion; dehydroepiandrosterone sulfate

3beta-Hydroxyandrost-5-en-17-one 3-sulfate; 651-48-9; C04555; DHEA sulfate; Dehydroepiandrosterone sulfate

78590-17-7; D01616; Mylis (TN); Sodium prasterone sulfate hydrate (JP16)

CHEBI:1724; CHEBI:20247; CHEBI:61003; CHEBI:11912

dehydroepiandrosterone sulfate(1-)

DHEAS

Inflarest

MFCD00010470

PB-005

Prasterone sulfate

Sodium (3beta)-17-oxoandrost-5-en-3-yl sulfate

Sodium dehydroepiandrosterone sulfate

Sodium Dehydroepiandrosterone-3-sulfate Hydrate

Sodium prasterone sulfate

Sodium Prasterone Sulfate (JAN)

sodium prasteronesulfate

Sodiumprasteronesulfate

[(1S,2R,5S,10R,11S,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.92 6.22 -46.85 0 5 -1 84 367.487 2 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ABCCB_HUMAN; S22A7_HUMAN; S22A8_RAT; S22AB_HUMAN; SO1A1_MOUSE; SO1B1_HUMAN; SO1B2_MOUSE; SO1B2_RAT; SO1B3_HUMAN; SO3A1_HUMAN ChEBI
Patent Database Links EP1555025; WO2007097934 ChEBI
Reactome Database Links REACT_115686; REACT_22294; REACT_23829; REACT_6969 ChEBI
UniProt Database Links S22A7_HUMAN; S22A8_RAT; S22AB_HUMAN; SO1A1_MOUSE; SO1B1_HUMAN; SO1B2_MOUSE; SO1B2_RAT; SO1B3_HUMAN; STS_HUMAN; STS_MOUSE; STS_RAT ChEBI

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Cytosolic sulfonation of small molecules
Glycosphingolipid metabolism
Organic anion transport
Transport of organic anions

Analogs ( Draw Identity 99% 90% 80% 70% )