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CHEBI:50107 - 5β-scymnol sulfate

ChEBI IDCHEBI:50107
ChEBI Name5β-scymnol sulfate
Stars
ASCII Name5beta-scymnol sulfate
Last Modified4 June 2008
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H48O9S
Net Charge0
Average Mass548.739
Monoisotopic Mass548.30190
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@H](C)CC[C@@H](O)C(CO)COS(=O)(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=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
InChIKeyJKUSPYUETNXNRO-JWBDLDPOSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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 sulfateKEGG COMPOUND
Manual XrefsDatabases
C16261KEGG COMPOUND