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CHEBI:2149 - 5β-cyprinol sulfate

ChEBI IDCHEBI:2149
ChEBI Name5β-cyprinol sulfate
Stars
ASCII Name5beta-cyprinol sulfate
DefinitionA steroid sulfate that is the sulfuric ester derivative of 5β-cyprinol.
Last Modified9 February 2015
DownloadsMolfile
FormulaC27H48O8S
Net Charge0
Average Mass532.740
Monoisotopic Mass532.30699
SMILES[H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCCC(CO)COS(=O)(=O)O)[C@]1([H])[C@H](O)C2
InChIInChI=1S/C27H48O8S/c1-16(5-4-6-17(14-28)15-35-36(32,33)34)20-7-8-21-25-22(13-24(31)27(20,21)3)26(2)10-9-19(29)11-18(26)12-23(25)30/h16-25,28-31H,4-15H2,1-3H3,(H,32,33,34)/t16-,17?,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyKAOLEMQCYWHOJQ-SWNQZQHISA-N
ChEBI Ontology
Outgoing Relation(s)
5β-cyprinol sulfate (CHEBI:2149) has functional parent 5β-cyprinol (CHEBI:37913)
5β-cyprinol sulfate (CHEBI:2149) is a 12α-hydroxy steroid (CHEBI:36846)
5β-cyprinol sulfate (CHEBI:2149) is a 26-hydroxy steroid (CHEBI:36852)
5β-cyprinol sulfate (CHEBI:2149) is a 3α-hydroxy steroid (CHEBI:36835)
5β-cyprinol sulfate (CHEBI:2149) is a 7α-hydroxy steroid (CHEBI:36843)
5β-cyprinol sulfate (CHEBI:2149) is a steroid sulfate (CHEBI:16158)
IUPAC Name 
3α,7α,12α,26-tetrahydroxy-5β-cholestan-27-yl hydrogen sulfate
Synonyms  Source
5beta-CyprinolsulfateKEGG COMPOUND
5β-CyprinolsulfateLIPID MAPS
Manual XrefsDatabases
C05468KEGG COMPOUND
LMST05020004LIPID MAPS