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> Main
CHEBI:137810 - 3β,6α,7α-trihydroxy-5β-cholan-24-oic acid
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ChEBI Name
3β,6α,7α-trihydroxy-5β-cholan-24-oic acid
ChEBI ID
CHEBI:137810
ChEBI ASCII Name
3beta,6alpha,7alpha-trihydroxy-5beta-cholan-24-oic acid
Stars
This entity has been manually annotated by a third party.
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Formula
C24H40O5
Net Charge
0
Average Mass
408.572
Monoisotopic Mass
408.28757
InChI
InChI=1S/C24H40O5/c1-
13(4-
7-
19(26)
27)
15-
5-
6-
16-
20-
17(9-
11-
23(15,16)
2)
24(3)
10-
8-
14(25)
12-
18(24)
21(28)
22(20)
29/h13-
18,20-
22,25,28-
29H,4-
12H2,1-
3H3,(H,26,27)
/t13-
,14+,15-
,16+,17+,18+,20+,21-
,22+,23-
,24-
/m1/s1
InChIKey
DKPMWHFRUGMUKF-RIDSGAKHSA-N
SMILES
C1C[C@@H]
(C[C@]
2([C@H]
([C@H]
([C@@]
3([C@]
(CC[C@]
4([C@]
3(CC[C@@]
4([C@@]
(CCC(=O)
O)
(C)
[H]
)
[H]
)
[H]
)
C)
([C@@]
12C)
[H]
)
[H]
)
O)
O)
[H]
)
O
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
3β,6α,7α-trihydroxy-5β-cholan-24-oic acid (
CHEBI:137810
)
is a
bile acid (
CHEBI:3098
)
Manual Xref
Database
LMST04010068
LIPID MAPS
View more database links
Last Modified
11 July 2017