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CHEBI:36239 - 5α-cholanic acid
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ChEBI Name
5α-cholanic acid
ChEBI ID
CHEBI:36239
ChEBI ASCII Name
5alpha-cholanic acid
Definition
A cholanic acid having 5α-configuration.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C24H40O2
Net Charge
0
Average Mass
360.57320
Monoisotopic Mass
360.30283
InChI
InChI=1S/C24H40O2/c1-
16(7-
12-
22(25)
26)
19-
10-
11-
20-
18-
9-
8-
17-
6-
4-
5-
14-
23(17,2)
21(18)
13-
15-
24(19,20)
3/h16-
21H,4-
15H2,1-
3H3,(H,25,26)
/t16-
,17-
,18+,19-
,20+,21+,23+,24-
/m1/s1
InChIKey
RPKLZQLYODPWTM-NIRKWIOJSA-N
SMILES
[H][C@]12CCCC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CC2)[C@H](C)CCC(O)=O
ChEBI Ontology
Outgoing
5α-cholanic acid (
CHEBI:36239
)
is a
5α-cholanic acids (
CHEBI:36246
)
5α-cholanic acid (
CHEBI:36239
)
is a
cholanic acid (
CHEBI:36237
)
IUPAC Name
5α-cholan-24-oic acid
Synonym
Source
allocholanic acid
ChEBI
Manual Xref
Database
LMST04010002
LIPID MAPS
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Registry Numbers
Types
Sources
3214793
Reaxys Registry Number
Reaxys
3214793
Beilstein Registry Number
Beilstein
Last Modified
29 September 2011