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CHEBI:68597 - clathsterol(2−)

ChEBI IDCHEBI:68597
ChEBI Nameclathsterol(2−)
Stars
ASCII Nameclathsterol(2-)
DefinitionA steroid sulfate oxoanion which is a dianion obtained by the deprotonation of both the sulfate groups of clathsterol disulfonic acid.
Last Modified4 October 2012
Submitternamrata
DownloadsMolfile
FormulaC39H64O15S2
Net Charge-2
Average Mass837.060
Monoisotopic Mass836.36976
SMILES[H][C@]1([C@H](C)C(OC(=O)CCC)C(OC(=O)CCC)C(CC)C(C)C)[C@@H](O)[C@H](OC(C)=O)[C@@]2([H])[C@]3([H])CCC4C[C@H](OS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C39H66O15S2/c1-10-13-30(41)51-35(36(25(12-3)21(4)5)52-31(42)14-11-2)22(6)32-34(43)37(50-23(7)40)33-26-16-15-24-19-28(53-55(44,45)46)29(54-56(47,48)49)20-39(24,9)27(26)17-18-38(32,33)8/h21-22,24-29,32-37,43H,10-20H2,1-9H3,(H,44,45,46)(H,47,48,49)/p-2/t22-,24?,25?,26+,27-,28-,29-,32-,33+,34+,35?,36?,37+,38+,39-/m0/s1
InChIKeyQZCHAQYTIIGVHJ-HXIPBOOUSA-L
ChEBI Ontology
Outgoing Relation(s)
clathsterol(2−) (CHEBI:68597) is a steroid sulfate oxoanion (CHEBI:59696)
clathsterol(2−) (CHEBI:68597) is conjugate base of clathsterol disulfonic acid (CHEBI:68598)
Incoming Relation(s)
clathsterol (CHEBI:65640) has part clathsterol(2−) (CHEBI:68597)
clathsterol disulfonic acid (CHEBI:68598) is conjugate acid of clathsterol(2−) (CHEBI:68597)
IUPAC Name 
(2α,3β,15α,16β,24ξ)-15-(acetyloxy)-22,23-bis(butanoyloxy)-16-hydroxystigmastane-2,3-diyl disulfate
Synonym  Source
clathsterol dianionChEBI