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CHEBI:58808 - 5β-scymnol sulfate(1−)

ChEBI IDCHEBI:58808
ChEBI Name5β-scymnol sulfate(1−)
Stars
ASCII Name5beta-scymnol sulfate(1-)
DefinitionConjugate base of 5β-scymnol sulfate.
Last Modified13 November 2017
DownloadsMolfile
FormulaC27H47O9S
Net Charge-1
Average Mass547.731
Monoisotopic Mass547.29463
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)/p-1/t15-,16?,17+,18-,19-,20+,21?,22-,23-,24+,25+,26+,27-/m1/s1
InChIKeyJKUSPYUETNXNRO-JWBDLDPOSA-M
ChEBI Ontology
Outgoing Relation(s)
5β-scymnol sulfate(1−) (CHEBI:58808) is a steroid sulfate oxoanion (CHEBI:59696)
5β-scymnol sulfate(1−) (CHEBI:58808) is conjugate base of 5β-scymnol sulfate (CHEBI:50107)
Incoming Relation(s)
5β-scymnol sulfate (CHEBI:50107) is conjugate acid of 5β-scymnol sulfate(1−) (CHEBI:58808)
IUPAC Name 
(24R)-3α,7α,12α,24,26-pentahydroxy-5β-cholestan-27-yl sulfate
Synonym  Source
5β-scymnol sulfate anionChEBI
UniProt Name  Source
5β-scymnol sulfateUniProt
Registry NumbersSources
Beilstein:7697279Beilstein