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ChEBI
> Main
CHEBI:228301 - asterasterol C
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ChEBI Ontology
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ChEBI Name
asterasterol C
ChEBI ID
CHEBI:228301
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H42O6S
Net Charge
0
Average Mass
494.690
Monoisotopic Mass
494.27021
InChI
InChI=1S/C27H42O6S/c1-
17(16-
33-
34(30,31)
32)
6-
5-
7-
18(2)
21-
8-
9-
22-
20-
15-
25(29)
24-
14-
19(28)
10-
12-
27(24,4)
23(20)
11-
13-
26(21,22)
3/h5,7,15,17-
19,21-
24,28H,6,8-
14,16H2,1-
4H3,(H,30,31,32)
/b7-
5+/t17?,18-
,19-
,21-
,22?,23?,24-
,26-
,27-
/m1/s1
InChIKey
KDUVNRKZGYTTJS-NZUZQIPGSA-N
SMILES
[H][C@@]1(CCC2C3=CC(=O)[C@@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C)[C@H](C)\C=C\CC(C)COS(O)(=O)=O
Metabolite of Species
Details
Asteriidae
(NCBI:txid7600)
See:
DOI
Roles Classification
Biological Role
(s):
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
asterasterol C (
CHEBI:228301
)
has role
animal metabolite (
CHEBI:75767
)
asterasterol C (
CHEBI:228301
)
has role
marine metabolite (
CHEBI:76507
)
asterasterol C (
CHEBI:228301
)
is a
3α-hydroxy steroid (
CHEBI:36835
)
asterasterol C (
CHEBI:228301
)
is a
6-oxo steroid (
CHEBI:36883
)
asterasterol C (
CHEBI:228301
)
is a
C
27
-steroid (
CHEBI:131619
)
asterasterol C (
CHEBI:228301
)
is a
sulfooxy steroid (
CHEBI:52035
)
IUPAC Name
(9ξ,14ξ,22
E
)-
3α-
hydroxy-
6-
oxo-
5α-
cholesta-
7,22-
dien-
26-
yl hydrogen sulfate
Synonym
Source
(+)-asterasterol C
ChEBI
Registry Number
Type
Source
193008-27-4
CAS Registry Number
ChEBI
Last Modified
21 December 2023
General Comment
2023-12-21
Relevant article: https://doi.org/10.1016/S0040-4020(97)00531-0