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> Main
CHEBI:772 - 16alpha,17beta-Estriol 17-(beta-D-glucuronide)
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ChEBI Ontology
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ChEBI Name
16alpha,17beta-Estriol 17-(beta-D-glucuronide)
ChEBI ID
CHEBI:772
Stars
This entity has been manually annotated by a third party.
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Formula
C24H31O9
Net Charge
0
Average Mass
464.506
Monoisotopic Mass
464.20463
InChI
InChI=1S/C24H32O9/c1-
24-
7-
6-
13-
12-
5-
3-
11(25)
8-
10(12)
2-
4-
14(13)
15(24)
9-
16(26)
21(24)
33-
23-
19(29)
17(27)
18(28)
20(32-
23)
22(30)
31/h3,5,8,13-
21,23,25-
29H,2,4,6-
7,9H2,1H3,(H,30,31)
/t13-
,14-
,15+,16-
,17+,18+,19-
,20+,21+,23+,24+/m1/s1
InChIKey
CZGFLAQOJPXVRV-FLVROIOLSA-N
SMILES
C[C@]
12CC[C@H]
3[C@@H]
(CCc4cc(O)
ccc34)
[C@@H]
1C[C@@H]
(O)
[C@@H]
2O[C@@H]
1O[C@@H]
([C@@H]
(O)
[C@H]
(O)
[C@H]
1O)
C(O)
=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
saponin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
16alpha,17beta-Estriol 17-(beta-D-glucuronide) (
CHEBI:772
)
is a
steroid saponin (
CHEBI:61655
)
Synonym
Source
16alpha,17beta-Estriol 17-(beta-D-glucuronide)
KEGG COMPOUND
Manual Xrefs
Databases
C11346
KEGG COMPOUND
HMDB0010333
HMDB
View more database links
Registry Number
Type
Source
7219-89-8
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014