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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:88773 - Cortolone-3-glucuronide
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ChEBI Ontology
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ChEBI Name
Cortolone-3-glucuronide
ChEBI ID
CHEBI:88773
Stars
This entity has been manually annotated by a third party.
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Formula
C27H42O11
Net Charge
0
Average Mass
542.617
Monoisotopic Mass
542.27271
InChI
InChI=1S/C27H42O11/c1-
25-
9-
13(37-
24-
21(33)
19(31)
20(32)
22(38-
24)
23(34)
35)
5-
3-
12(25)
4-
6-
14-
15-
7-
8-
27(36,17(30)
11-
28)
26(15,2)
10-
16(29)
18(14)
25/h12-
15,17-
22,24,28,30-
33,36H,3-
11H2,1-
2H3,(H,34,35)
/t12?,13?,14?,15?,17?,18?,19-
,20-
,21+,22-
,24+,25?,26?,27?/m0/s1
InChIKey
OKNSFVSKHQJVRN-XAYCFROHSA-N
SMILES
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)OC2CC3(C4C(C5C(CC4=O)(C(CC5)(C(CO)O)O)C)CCC3CC2)C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
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
Cortolone-3-glucuronide (
CHEBI:88773
)
is a
steroid saponin (
CHEBI:61655
)
Synonyms
Sources
(2S,3S,4S,5R,6R)-
6-
{[14-
(1,2-
dihydroxyethyl)-
14-
hydroxy-
2,15-
dimethyl-
17-
oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-
4-
yl]oxy}-
3,4,5-
trihydroxyoxane-
2-
carboxylic acid
HMDB
20alpha-Cortolone-3-glucuronide
HMDB
20beta-Cortolone-3-glucuronide
HMDB
Manual Xrefs
Databases
Beta-D-Glucuronides
MetaCyc
HMDB0010320
HMDB
View more database links
Registry Number
Type
Source
56162-46-0
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
22624806
PubMed citation
Europe PMC
6549383
PubMed citation
Europe PMC