Feedback

cortisol 21-sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM4532

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₁H₂₉O₈S

charge

-1

mass

441.15886

reference

chebi:57782

InChIKey

JOVLCJDINAUYJW-VWUMJDOOSA-M

InChI

InChI=1S/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)/p-1/t14-,15-,16-,18+,19-,20-,21-/m0/s1

SMILES

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COS(=O)(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57782 chebi:57782	cortisol 21-sulfate 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl sulfate cortisol 21-sulfate anion cortisol 21-sulfate(1-)
kegg.compound:C02822 keggC:C02822	Cortisol 21-sulfate
hmdb:HMDB0062779	Cortisol 21-sulfate (11b)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione (11b)-11,17-Dihydroxy-21-(sulphooxy)pregn-4-ene-3,20-dione (11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione (11beta)-11,17-Dihydroxy-21-(sulphooxy)pregn-4-ene-3,20-dione (11beta)-11,17-dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione (11beta)-11,17-dihydroxy-21-(sulphooxy)pregn-4-ene-3,20-dione 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfate 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfuric acid 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulphate 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulphuric acid 2-[(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-2-oxoethoxysulfonic acid 4-Pregnen-11,17,21-triol-3,20-dione 21-sulfate Cortisol 21-sulfate, 1,2-T2-labeled Cortisol 21-sulfate, 4-(14)C-labeled Cortisol 21-sulfuric acid Cortisol 21-sulphate Cortisol 21-sulphuric acid Cortisol sulfate Cortisol-21-sulfate Cortisol-21-sulfuric acid Cortisol-21-sulphate Cortisol-21-sulphuric acid F(K)S CPD SS441 Compound {2-[(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]-2-oxoethoxy}sulfonic acid
seed.compound:cpd01825 seedM:cpd01825	Cortisol 21-sulfate cortisol 21-sulfate
metacyc.compound:CPD-517 metacycM:CPD-517	cortisol 21-sulfate
CHEBI:16473 chebi:16473	cortisol 21-sulfate (11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfate 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate Cortisol 21-sulfate Cortisol-21-sulfate
lipidmaps:LMST05020020 lipidmapsM:LMST05020020	cortisol 21-sulfate (11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione 11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfate 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate Cortisol 21-sulfate Cortisol-21-sulfate O5 S ST 21:3 cortisol 21-sulfate
hmdb:HMDB62779 chebi:14025 chebi:23395 chebi:3895 keggC:M_C02822 seedM:M_cpd01825	secondary/obsolete/fantasy identifier