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ChEBI
> Main
CHEBI:71614 - (25
R
)-Δ
7
-dafachronic acid
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ChEBI Name
(25
R
)-Δ
7
-dafachronic acid
ChEBI ID
CHEBI:71614
ChEBI ASCII Name
(25R)-Delta(7)-dafachronic acid
Definition
A cholestanoid that is (5α,25
R
)-cholest-7-en-26-oic acid substituted at position 3 by an oxo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H42O3
Net Charge
0
Average Mass
414.62060
Monoisotopic Mass
414.31340
InChI
InChI=1S/C27H42O3/c1-
17(6-
5-
7-
18(2)
25(29)
30)
22-
10-
11-
23-
21-
9-
8-
19-
16-
20(28)
12-
14-
26(19,3)
24(21)
13-
15-
27(22,23)
4/h9,17-
19,22-
24H,5-
8,10-
16H2,1-
4H3,(H,29,30)
/t17-
,18-
,19+,22-
,23+,24+,26+,27-
/m1/s1
InChIKey
SQTAVUCHOVVOFD-QAIVWSEESA-N
SMILES
[H]
[C@@]
12CC=C3[C@]
([H]
)
(CC[C@]
4(C)
[C@]
([H]
)
(CC[C@@]
34[H]
)
[C@H]
(C)
CCC[C@@H]
(C)
C(O)
=O)
[C@@]
1(C)
CCC(=O)
C2
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(25
R
)-Δ
7
-dafachronic acid (
CHEBI:71614
)
is a
3-oxo Δ
7
-steroid (
CHEBI:71598
)
(25
R
)-Δ
7
-dafachronic acid (
CHEBI:71614
)
is a
cholestanoid (
CHEBI:50401
)
(25
R
)-Δ
7
-dafachronic acid (
CHEBI:71614
)
is a
monocarboxylic acid (
CHEBI:25384
)
(25
R
)-Δ
7
-dafachronic acid (
CHEBI:71614
)
is a
steroid acid (
CHEBI:47891
)
(25
R
)-Δ
7
-dafachronic acid (
CHEBI:71614
)
is conjugate acid of
(25
R
)-Δ
7
-dafachronate (
CHEBI:71569
)
Incoming
(25
R
)-Δ
7
-dafachronate (
CHEBI:71569
)
is conjugate base of
(25
R
)-Δ
7
-dafachronic acid (
CHEBI:71614
)
IUPAC Name
(5α,25
R
)-3-oxocholest-7-en-26-oic acid
Synonym
Source
(25
R
)-3-ketocholest-7-en-26-oic acid
ChEBI
Registry Number
Type
Source
18860643
Reaxys Registry Number
Reaxys
Citations
Types
Sources
16529801
PubMed citation
Europe PMC
19196833
PubMed citation
Europe PMC
Last Modified
05 December 2013