CHEBI:2149 - 5β-cyprinol sulfate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5β-cyprinol sulfate
ChEBI ID CHEBI:2149
ChEBI ASCII Name 5beta-cyprinol sulfate
Definition A steroid sulfate that is the sulfuric ester derivative of 5β-cyprinol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H48O8S
Net Charge 0
Average Mass 532.73122
Monoisotopic Mass 532.30699
InChI InChI=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
InChIKey KAOLEMQCYWHOJQ-SWNQZQHISA-N
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@]1([H])[C@H](O)C2)[C@H](C)CCCC(CO)COS(O)(=O)=O
ChEBI Ontology
Outgoing 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 Sources
5beta-Cyprinolsulfate KEGG COMPOUND
5β-Cyprinolsulfate LIPID MAPS
Manual Xrefs Databases
C05468 KEGG COMPOUND
LMST05020004 LIPID MAPS
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Last Modified
09 February 2015