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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81245 - Vulpecholate
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ChEBI Ontology
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ChEBI Name
Vulpecholate
ChEBI ID
CHEBI:81245
Stars
This entity has been manually annotated by a third party.
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Formula
C24H40O5
Net Charge
0
Average Mass
408.57140
Monoisotopic Mass
408.28757
InChI
InChI=1S/C24H40O5/c1-
13(4-
7-
21(28)
29)
16-
5-
6-
17-
22-
18(8-
9-
23(16,17)
2)
24(3)
14(11-
19(22)
26)
10-
15(25)
12-
20(24)
27/h13-
20,22,25-
27H,4-
12H2,1-
3H3,(H,28,29)
/t13-
,14+,15+,16-
,17+,18+,19-
,20+,22+,23-
,24+/m1/s1
InChIKey
GYUVAHWOVINGNE-RMVWDZDYSA-N
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing
Vulpecholate (
CHEBI:81245
)
is a
cholanoid (
CHEBI:36078
)
Synonyms
Sources
1alpha,3alpha,7alpha-Trihydroxy-5beta-cholan-24-oic acid
KEGG COMPOUND
Vulpecholic acid
KEGG COMPOUND
Manual Xref
Database
C17650
KEGG COMPOUND
View more database links
Registry Number
Type
Source
107368-95-6
CAS Registry Number
KEGG COMPOUND