A8Z

Tetrahydrodeoxycorticosterone

Created:	2017-08-17
Last modified:	2017-10-11

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1 entries where A8Z is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	58
Chiral Atom Count	8
Bond Count	61
Aromatic Bond Count	0

2D diagram of A8Z

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Chemical Component Summary
Name	Tetrahydrodeoxycorticosterone
Systematic Name (OpenEye OEToolkits)	1-[(3~{R},5~{S},8~{R},9~{S},10~{S},13~{S},14~{S},17~{S})-10,13-dimethyl-3-oxidanyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone
Formula	C₂₁ H₃₄ O₃
Molecular Weight	334.493
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]4CC[CH](C(=O)CO)[C]4(C)CC[CH]23
SMILES	OpenEye OEToolkits	2.0.6	CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CO)C)O
Canonical SMILES	CACTVS	3.385	C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]23
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O
InChI	InChI	1.03	InChI=1S/C21H34O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-18,22-23H,3-12H2,1-2H3/t13-,14+,15-,16-,17-,18+,20-,21-/m0/s1
InChIKey	InChI	1.03	CYKYBWRSLLXBOW-GDYGHMJCSA-N

Related Resource References

Resource Name	Reference
PubChem	101771
ChEMBL	CHEMBL1256760
ChEBI	CHEBI:34461

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.