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CHEBI:80817 - Dehydroeburicoic acid
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ChEBI Ontology
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ChEBI Name
Dehydroeburicoic acid
ChEBI ID
CHEBI:80817
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C31H48O3
Net Charge
0
Average Mass
468.71100
Monoisotopic Mass
468.36035
InChI
InChI=1S/C31H48O3/c1-
19(2)
20(3)
9-
10-
21(27(33)
34)
22-
13-
17-
31(8)
24-
11-
12-
25-
28(4,5)
26(32)
15-
16-
29(25,6)
23(24)
14-
18-
30(22,31)
7/h11,14,19,21-
22,25-
26,32H,3,9-
10,12-
13,15-
18H2,1-
2,4-
8H3,(H,33,34)
/t21-
,22-
,25+,26+,29-
,30-
,31+/m1/s1
InChIKey
ONFPYGOMAADWAT-OXUZYLMNSA-N
SMILES
CC(C)C(=C)CC[C@H]([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(O)=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
Dehydroeburicoic acid (
CHEBI:80817
)
is a
bile acid (
CHEBI:3098
)
Synonym
Source
Dehydrotrametenolic acid
KEGG COMPOUND
Manual Xref
Database
C16950
KEGG COMPOUND
View more database links