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CHEBI:35420 - pregnenolone sulfate
| Formula | C21H32O5S |
| Net Charge | 0 |
| Average Mass | 396.549 |
| Monoisotopic Mass | 396.19705 |
| SMILES | [H][C@@]12CC=C3C[C@@H](OS(=O)(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H] |
| 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)/t15-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | DIJBBUIOWGGQOP-QGVNFLHTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). EC 2.7.1.33 (pantothenate kinase) inhibitor An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of pantothenate kinase (EC 2.7.1.33). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pregnenolone sulfate (CHEBI:35420) has functional parent pregnenolone (CHEBI:16581) |
| pregnenolone sulfate (CHEBI:35420) has role EC 2.7.1.33 (pantothenate kinase) inhibitor (CHEBI:77194) |
| pregnenolone sulfate (CHEBI:35420) has role human metabolite (CHEBI:77746) |
| pregnenolone sulfate (CHEBI:35420) is a steroid sulfate (CHEBI:16158) |
| pregnenolone sulfate (CHEBI:35420) is conjugate acid of pregnenolone sulfate(1−) (CHEBI:133000) |
| Incoming Relation(s) |
| pregnenolone sulfate(1−) (CHEBI:133000) is conjugate base of pregnenolone sulfate (CHEBI:35420) |
| IUPAC Name |
|---|
| 20-oxopregn-5-en-3β-yl hydrogen sulfate |
| Synonyms | Source |
|---|---|
| pregnenolone sulfate | ChemIDplus |
| (3β)-3-(sulfooxy)pregn-5-en-20-one | ChemIDplus |
| 5-pregnen-3β-ol-20-one sulfate | ChemIDplus |
| Pregnenolone sulfate | KEGG COMPOUND |
| Citations |
|---|