CHEBI:68594 - eurysterol B sulfonic acid

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ChEBI Name eurysterol B sulfonic acid
ChEBI ID CHEBI:68594
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H44O7S
Net Charge 0
Average Mass 512.69900
Monoisotopic Mass 512.28077
InChI InChI=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
InChIKey QPVBWEUWNJWRLD-XPVUCKRVSA-N
SMILES [H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]34CC[C@@H](C[C@]3(O)[C@H](O)C[C@@]21OC4)OS(O)(=O)=O)[C@H](C)\C=C\CC(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 acid ChEBI
Last Modified
03 October 2012