Molecular Identity
Dehydroepiandrosterone Sulfate
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate
PubChem CID: 12594
Dehydroepiandrosterone sulfate is a steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone. It has a role as a mouse metabolite, an EC 2.7.1.33 (pantothenate kinase) inhibitor and a human metabolite. It is a steroid sulfate and a 17-oxo steroid. It is functionally related to a dehydroepiandrosterone. It is a conjugate acid of a dehydroepiandrosterone sulfate(1-).
2D Structure
Properties
C19H28O5S
Molecular Formula
368.50
Molecular Weight
g/mol
368.1657
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
89.1
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
721
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)CIsomeric SMILES
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)CSynonyms(20)
Prasterone sulfateDEHYDROEPIANDROSTERONE SULFATEDHEA sulfate651-48-9Dehydroisoandrosterone sulfateDHEASDehydroandrosterone sulfateDehydroepiandrosterone sulphateDHEA sulphateDehydroepiandrosterone monosulfateDHEA-SPrasterone sulphate3-O-SulfodehydroepiandrosteroneDehydroisoandrosterone-3-sulfate17-Ketoandrost-5-en-3beta-yl sulfate
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dehydroepiandrosterone Sulfate
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