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CHEBI:68594 - eurysterol B sulfonic acid

ChEBI IDCHEBI:68594
ChEBI Nameeurysterol B sulfonic acid
Stars
DefinitionA steroid sulfate that is 5α-cholestane with a double bond at position 22, hydroxy groups at positions 5 and 6, a bridged oxolane between positions 8 and 19 and a sulfate group at position 3.
Last Modified3 October 2012
Submitternamrata
DownloadsMolfile
FormulaC27H44O7S
Net Charge0
Average Mass512.709
Monoisotopic Mass512.28077
SMILES[H][C@@]12CC[C@]([H])([C@H](C)/C=C/CC(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/C27H44O7S/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/h5,7,17-23,28-29H,6,8-16H2,1-4H3,(H,30,31,32)/b7-5+/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m1/s1
InChIKeyQPVBWEUWNJWRLD-XPVUCKRVSA-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 B sulfonic acid (CHEBI:68594) has parent hydride 5α-cholestane (CHEBI:35515)
eurysterol B sulfonic acid (CHEBI:68594) has role antifungal agent (CHEBI:35718)
eurysterol B sulfonic acid (CHEBI:68594) has role antineoplastic agent (CHEBI:35610)
eurysterol B sulfonic acid (CHEBI:68594) has role metabolite (CHEBI:25212)
eurysterol B sulfonic acid (CHEBI:68594) is a 5α-hydroxy steroid (CHEBI:38194)
eurysterol B sulfonic acid (CHEBI:68594) is a 6β-hydroxy steroid (CHEBI:36851)
eurysterol B sulfonic acid (CHEBI:68594) is a bridged compound (CHEBI:35990)
eurysterol B sulfonic acid (CHEBI:68594) is a cyclic ether (CHEBI:37407)
eurysterol B sulfonic acid (CHEBI:68594) is a diol (CHEBI:23824)
eurysterol B sulfonic acid (CHEBI:68594) is a steroid sulfate (CHEBI:16158)
eurysterol B sulfonic acid (CHEBI:68594) is conjugate acid of eurysterol B(1−) (CHEBI:68593)
Incoming Relation(s)
eurysterol B(1−) (CHEBI:68593) is conjugate base of eurysterol B sulfonic acid (CHEBI:68594)
IUPAC Name 
(3β,5α,6β,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl hydrogen sulfate
Synonym  Source
(3β,5α,6β,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl sulfonic acidChEBI