CHEBI:136568 - (24S)-hydroxycholesterol 3,24-disulfate(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (24S)-hydroxycholesterol 3,24-disulfate(2−)
ChEBI ID CHEBI:136568
ChEBI ASCII Name (24S)-hydroxycholesterol 3,24-disulfate(2-)
Definition A steroid sulfate oxoanion obtained by deprotonation of the sulfo groups of (24S)-hydroxycholesterol 3,24-disulfate.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C27H44O8S2
Net Charge -2
Average Mass 560.767
Monoisotopic Mass 560.24886
InChI InChI=1S/C27H46O8S2/c1-17(2)25(35-37(31,32)33)11-6-18(3)22-9-10-23-21-8-7-19-16-20(34-36(28,29)30)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25H,6,8-16H2,1-5H3,(H,28,29,30)(H,31,32,33)/p-2/t18-,20+,21+,22-,23+,24+,25+,26+,27-/m1/s1
InChIKey ASFDNKQCXMJFKH-XWXSNNQWSA-L
SMILES [C@@]12([C@]3([C@](CC[C@@]1([C@@]4(C(C[C@H](CC4)OS([O-])(=O)=O)=CC2)C)[H])([C@](CC3)([C@H](C)CC[C@@H](C(C)C)OS([O-])(=O)=O)[H])C)[H])[H]
ChEBI Ontology
Outgoing (24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568) is a steroid sulfate oxoanion (CHEBI:59696)
(24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568) is conjugate base of (24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389)
Incoming (24S)-hydroxycholesterol 3,24-disulfate (CHEBI:137389) is conjugate acid of (24S)-hydroxycholesterol 3,24-disulfate(2−) (CHEBI:136568)
IUPAC Name
(3β,24S)-cholest-5-ene-3,24-diyl disulfate
Synonym Source
(24S)-hydroxycholesterol 3,24-disulfate UniProt
Citation Waiting for Citations Type Source
19589875 PubMed citation SUBMITTER
Last Modified
09 June 2017