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CHEBI:68591 - eurysterol A sulfonic acid

ChEBI IDCHEBI:68591
ChEBI Nameeurysterol A sulfonic acid
Stars
DefinitionA steroid sulfate that is 5α-cholestane substituted by hydroxy groups at positions 5 and 6, a bridged oxolane at positions 8 and 19 pand a sulfate group at position 3.
Last Modified9 November 2012
Submitternamrata
DownloadsMolfile
FormulaC27H46O7S
Net Charge0
Average Mass514.725
Monoisotopic Mass514.29642
SMILES[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@]1([H])[C@@]34CC[C@H](OS(=O)(=O)O)C[C@]3(O)[C@H](O)C[C@@]21OC4
InChIInChI=1S/C27H46O7S/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25/h17-23,28-29H,5-16H2,1-4H3,(H,30,31,32)/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m1/s1
InChIKeyMWTQCWZOXMULHF-QZSJCTLHSA-N
Roles Classification
Biological Roles:
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
eurysterol A sulfonic acid (CHEBI:68591) has parent hydride 5α-cholestane (CHEBI:35515)
eurysterol A sulfonic acid (CHEBI:68591) has role antifungal agent (CHEBI:35718)
eurysterol A sulfonic acid (CHEBI:68591) has role antineoplastic agent (CHEBI:35610)
eurysterol A sulfonic acid (CHEBI:68591) has role metabolite (CHEBI:25212)
eurysterol A sulfonic acid (CHEBI:68591) is a 5α-hydroxy steroid (CHEBI:38194)
eurysterol A sulfonic acid (CHEBI:68591) is a 6β-hydroxy steroid (CHEBI:36851)
eurysterol A sulfonic acid (CHEBI:68591) is a bridged compound (CHEBI:35990)
eurysterol A sulfonic acid (CHEBI:68591) is a cyclic ether (CHEBI:37407)
eurysterol A sulfonic acid (CHEBI:68591) is a diol (CHEBI:23824)
eurysterol A sulfonic acid (CHEBI:68591) is a organic heteropentacyclic compound (CHEBI:38164)
eurysterol A sulfonic acid (CHEBI:68591) is a steroid sulfate (CHEBI:16158)
eurysterol A sulfonic acid (CHEBI:68591) is conjugate acid of eurysterol A(1−) (CHEBI:68592)
Incoming Relation(s)
eurysterol A(1−) (CHEBI:68592) is conjugate base of eurysterol A sulfonic acid (CHEBI:68591)
IUPAC Name 
(3β,5α,6β)-5,6-dihydroxy-8,19-epoxycholestan-3-yl hydrogen sulfate
Synonyms  Source
eurysterol A hydrogen sulfateChEBI
(3β,5α,6β)-5,6-dihydroxy-8,19-epoxycholestan-3-yl sulfonic acidChEBI