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ChEBI
> Main
CHEBI:16455 - 4,4-dimethyl-5α-cholest-7-en-3β-ol
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ChEBI Name
4,4-dimethyl-5α-cholest-7-en-3β-ol
ChEBI ID
CHEBI:16455
ChEBI ASCII Name
4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
Definition
A cholestanoid that is 5α-cholest-7-ene substituted by a β-hydroxy group at position 3 and two methyl groups at position 4.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:11919, CHEBI:1742, CHEBI:20266
Supplier Information
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Formula
C29H50O
Net Charge
0
Average Mass
414.70670
Monoisotopic Mass
414.38617
InChI
InChI=1S/C29H50O/c1-
19(2)
9-
8-
10-
20(3)
22-
12-
13-
23-
21-
11-
14-
25-
27(4,5)
26(30)
16-
18-
29(25,7)
24(21)
15-
17-
28(22,23)
6/h11,19-
20,22-
26,30H,8-
10,12-
18H2,1-
7H3/t20-
,22-
,23+,24+,25+,26+,28-
,29-
/m1/s1
InChIKey
UVNXFLZMQCAWCP-RCTKLBHESA-N
SMILES
[H]
[C@@]
(C)
(CCCC(C)
C)
[C@@]
1([H]
)
CC[C@@]
2([H]
)
C3=CC[C@@]
4([H]
)
C(C)
(C)
[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C
ChEBI Ontology
Outgoing
4,4-dimethyl-5α-cholest-7-en-3β-ol (
CHEBI:16455
)
has parent hydride
5α-cholest-7-ene (
CHEBI:35865
)
4,4-dimethyl-5α-cholest-7-en-3β-ol (
CHEBI:16455
)
is a
3β-sterol (
CHEBI:35348
)
4,4-dimethyl-5α-cholest-7-en-3β-ol (
CHEBI:16455
)
is a
cholestanoid (
CHEBI:50401
)
Incoming
4α-hydroxymethyl-4β-methyl-5α-cholest-7-en-3β-ol (
CHEBI:146140
)
has functional parent
4,4-dimethyl-5α-cholest-7-en-3β-ol (
CHEBI:16455
)
IUPAC Name
4,4-dimethyl-5α-cholest-7-en-3β-ol
Synonyms
Sources
4,4-dimethyl-5alpha-cholest-7-en-3beta-ol
ChEBI
4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol
KEGG COMPOUND
4,4-dimethyl-5α-cholest-7-en-3β-ol
UniProt
Manual Xref
Database
C04530
KEGG COMPOUND
View more database links
Last Modified
07 January 2019