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ChEBI
> Main
CHEBI:68591 - eurysterol A sulfonic acid
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ChEBI Name
eurysterol A sulfonic acid
ChEBI ID
CHEBI:68591
Definition
A 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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H46O7S
Net Charge
0
Average Mass
514.71500
Monoisotopic Mass
514.29642
InChI
InChI=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
InChIKey
MWTQCWZOXMULHF-QZSJCTLHSA-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)
CCCC(C)
C
Roles Classification
Biological Role
(s):
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
(s):
antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
(3β,5α,6β)-5,6-dihydroxy-8,19-epoxycholestan-3-yl sulfonic acid
ChEBI
eurysterol A hydrogen sulfate
ChEBI
Last Modified
09 November 2012