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pregnenolone sulfate

Properties

Image

Occurences in reactions

MNX_ID

MNXM732771

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	9

formula

C₂₁H₃₁O₅S

charge

-1

mass

395.18977

reference

chebi:133000

InChIKey

DIJBBUIOWGGQOP-QGVNFLHTSA-M

InChI

InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/p-1/t15-,16-,17+,18-,19-,20-,21+/m0/s1

SMILES

CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@H]3CC[C@]12C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133000 chebi:133000	pregnenolone sulfate (3beta)-20-oxopregn-5-en-3-yl sulfate 20-oxopregn-5-en-3beta-yl sulfate pregnenolone sulfate(1-)
hmdb:HMDB0060382	3beta-Hydroxypregn-5-en-20-one sulfate (3b)-3-(Sulfooxy)pregn-5-en-20-one (3b)-3-(Sulphooxy)pregn-5-en-20-one (3beta)-3-(Sulfooxy)pregn-5-en-20-one (3beta)-3-(Sulphooxy)pregn-5-en-20-one (3beta)-3-(sulfooxy)pregn-5-en-20-one (3beta)-3-(sulphooxy)pregn-5-en-20-one 3b-Hydroxypregn-5-en-20-one sulfate 3b-Hydroxypregn-5-en-20-one sulfuric acid 3b-Hydroxypregn-5-en-20-one sulphate 3b-Hydroxypregn-5-en-20-one sulphuric acid 3beta-Hydroxypregn-5-en-20-one sulfuric acid 3beta-Hydroxypregn-5-en-20-one sulphate 3beta-Hydroxypregn-5-en-20-one sulphuric acid 3beta-hydroxypregn-5-en-20-one sulfate 3beta-hydroxypregn-5-en-20-one sulfuric acid 3beta-hydroxypregn-5-en-20-one sulphate 3beta-hydroxypregn-5-en-20-one sulphuric acid 5-Pregnen-3 beta-ol-20-one sulfate 5-Pregnen-3b-ol-20-one sulfate 5-Pregnen-3b-ol-20-one sulfuric acid 5-Pregnen-3b-ol-20-one sulphate 5-Pregnen-3b-ol-20-one sulphuric acid 5-Pregnen-3beta-ol-20-one sulfate 5-Pregnen-3beta-ol-20-one sulfuric acid 5-Pregnen-3beta-ol-20-one sulphate 5-Pregnen-3beta-ol-20-one sulphuric acid Pregnenolone sulfate Pregnenolone sulfate, (3alpha)-isomer Pregnenolone sulfate, sodium salt, (3beta)-isomer Pregnenolone sulfuric acid Pregnenolone sulphate Pregnenolone sulphuric acid [(1S,2R,5S,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-5-yl]oxidanesulfonic acid pregnenolone sulfate
kegg.compound:C18044 keggC:C18044	3beta-Hydroxypregn-5-en-20-one sulfate Pregnenolone sulfate
bigg.metabolite:prgnlones biggM:prgnlones sabiork.compound:31343 sabiorkM:31343	Pregnenolone sulfate
seed.compound:cpd18027 seedM:cpd18027	Pregnenolone sulfate 3beta-Hydroxypregn-5-en-20-one sulfate
metacyc.compound:CPD-21809 metacycM:CPD-21809	pregnenolone sulfate (3beta)-20-oxopregn-5-en-3-yl sulfate
reactome:R-ALL-176665 reactomeM:R-ALL-176665 CHEBI:35420 chebi:35420	pregnenolone sulfate (3beta)-3-(sulfooxy)pregn-5-en-20-one 20-oxopregn-5-en-3beta-yl hydrogen sulfate 5-pregnen-3beta-ol-20-one sulfate Pregnenolone sulfate
lipidmaps:LMST05020014 lipidmapsM:LMST05020014	pregnenolone sulfate (3beta)-3-(sulfooxy)pregn-5-en-20-one 20-oxopregn-5-en-3beta-yl sulfate 5-pregnen-3beta-ol-20-one sulfate O2 S ST 21:2 pregnenolone sulfate
hmdb:HMDB60382 biggM:M_prgnlones keggC:M_C18044 seedM:M_cpd18027	secondary/obsolete/fantasy identifier