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> Main
CHEBI:64762 - dehydroergosterol
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ChEBI Ontology
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ChEBI Name
dehydroergosterol
ChEBI ID
CHEBI:64762
Definition
A phytosterol consiting of ergostane having double bonds at the 5,6-, 7,8- 9,11- and 22,23-positions as well as a 3β-hydroxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C28H42O
Net Charge
0
Average Mass
394.63250
Monoisotopic Mass
394.32357
InChI
InChI=1S/C28H42O/c1-
18(2)
19(3)
7-
8-
20(4)
24-
11-
12-
25-
23-
10-
9-
21-
17-
22(29)
13-
15-
27(21,5)
26(23)
14-
16-
28(24,25)
6/h7-
10,14,18-
20,22,24-
25,29H,11-
13,15-
17H2,1-
6H3/b8-
7+/t19-
,20+,22-
,24+,25-
,27-
,28+/m0/s1
InChIKey
QSVJYFLQYMVBDR-CMNOFMQQSA-N
SMILES
[H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)[C@H](C)\C=C\[C@H](C)C(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.
Application
(s):
biomarker
A substance used as an indicator of a biological state.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
dehydroergosterol (
CHEBI:64762
)
has role
biomarker (
CHEBI:59163
)
dehydroergosterol (
CHEBI:64762
)
has role
metabolite (
CHEBI:25212
)
dehydroergosterol (
CHEBI:64762
)
is a
3β-hydroxy-Δ
5
-steroid (
CHEBI:1722
)
dehydroergosterol (
CHEBI:64762
)
is a
3β-sterol (
CHEBI:35348
)
dehydroergosterol (
CHEBI:64762
)
is a
ergostanoid (
CHEBI:50403
)
dehydroergosterol (
CHEBI:64762
)
is a
phytosterols (
CHEBI:26125
)
IUPAC Name
(22
E
)-ergosta-5,7,9(11),22-tetraen-3β-ol
Synonyms
Sources
(3β,22
E
)-ergosta-5,7,9(11),22-tetraen-3-ol
IUPAC
delta(5,7,9(11)22)-Ergostatetraen-3-ol
ChemIDplus
Ergosta-5,7,9(11),22-tetraen-3beta-ol
ChemIDplus
Manual Xref
Database
LMST01031023
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
3218613
Reaxys Registry Number
Reaxys
516-85-8
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17439666
PubMed citation
Europe PMC
19010302
PubMed citation
Europe PMC
19019985
PubMed citation
Europe PMC
19450500
PubMed citation
Europe PMC
19477318
PubMed citation
Europe PMC
20070610
PubMed citation
Europe PMC
20798830
PubMed citation
Europe PMC
21110944
PubMed citation
Europe PMC
21181715
PubMed citation
Europe PMC
21291873
PubMed citation
Europe PMC
21470123
PubMed citation
Europe PMC
21536756
PubMed citation
Europe PMC
21689253
PubMed citation
Europe PMC
21740003
PubMed citation
Europe PMC
22162133
PubMed citation
Europe PMC
22372891
PubMed citation
Europe PMC
Last Modified
17 January 2023