CHEBI:50107 - 5β-scymnol sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-scymnol sulfate
ChEBI ID CHEBI:50107
ChEBI ASCII Name 5beta-scymnol sulfate
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C27H48O9S
Net Charge 0
Average Mass 548.73062
Monoisotopic Mass 548.30190
InChI InChI=1S/C27H48O9S/c1-15(4-7-22(30)16(13-28)14-36-37(33,34)35)19-5-6-20-25-21(12-24(32)27(19,20)3)26(2)9-8-18(29)10-17(26)11-23(25)31/h15-25,28-32H,4-14H2,1-3H3,(H,33,34,35)/t15-,16?,17+,18-,19-,20+,21?,22-,23-,24+,25+,26+,27-/m1/s1
InChIKey JKUSPYUETNXNRO-JWBDLDPOSA-N
SMILES [H][C@@]12C[C@H](O)CC[C@]1(C)C1C[C@H](O)[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CC[C@@H](O)C(CO)COS(O)(=O)=O
ChEBI Ontology
Outgoing 5β-scymnol sulfate (CHEBI:50107) has functional parent 5β-scymnol (CHEBI:50106)
5β-scymnol sulfate (CHEBI:50107) is a steroid sulfate (CHEBI:16158)
5β-scymnol sulfate (CHEBI:50107) is conjugate acid of 5β-scymnol sulfate(1−) (CHEBI:58808)
Incoming 5β-scymnol sulfate(1−) (CHEBI:58808) is conjugate base of 5β-scymnol sulfate (CHEBI:50107)
IUPAC Name
(24R)-3α,7α,12α,24,26-pentahydroxy-5β-cholestan-27-yl hydrogen sulfate
Synonym Source
5beta-Scymnol sulfate KEGG COMPOUND
Manual Xref Database
C16261 KEGG COMPOUND
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Last Modified
04 June 2008