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ChEBI
> Main
CHEBI:78358 - Δ
4
-dafachronate
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ChEBI Name
Δ
4
-dafachronate
ChEBI ID
CHEBI:78358
ChEBI ASCII Name
Delta(4)-dafachronate
Definition
A steroid acid anion that is the conjugate base of Δ
4
-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
KAX
Supplier Information
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Formula
C27H41O3
Net Charge
-1
Average Mass
413.61320
Monoisotopic Mass
413.30612
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/h16-
18,21-
24H,5-
15H2,1-
4H3,(H,29,30)
/p-
1/t17-
,18?,21+,22-
,23+,24+,26+,27-
/m1/s1
InChIKey
PSXQJZDFWDKBIP-NNWQCNCGSA-M
SMILES
C[C@H](CCCC(C)C([O-])=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing
Δ
4
-dafachronate (
CHEBI:78358
)
is a
steroid acid anion (
CHEBI:50160
)
Δ
4
-dafachronate (
CHEBI:78358
)
is conjugate base of
Δ
4
-dafachronic acid (
CHEBI:78686
)
Incoming
(25
R
)-Δ
4
-dafachronate (
CHEBI:71570
)
is a
Δ
4
-dafachronate (
CHEBI:78358
)
(25
S
)-Δ
4
-dafachronate (
CHEBI:71541
)
is a
Δ
4
-dafachronate (
CHEBI:78358
)
Δ
4
-dafachronic acid (
CHEBI:78686
)
is conjugate acid of
Δ
4
-dafachronate (
CHEBI:78358
)
IUPAC Name
3-oxocholest-4-en-26-oate
Synonym
Source
3-oxocholest-4-en-26-oate
UniProt
Citations
Types
Sources
21602385
PubMed citation
SUBMITTER
24244004
PubMed citation
SUBMITTER
Last Modified
17 July 2014