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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:81015 - 3beta,7alpha-Dihydroxy-5-cholestenoate
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ChEBI Ontology
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ChEBI Name
3beta,7alpha-Dihydroxy-5-cholestenoate
ChEBI ID
CHEBI:81015
Stars
This entity has been manually annotated by a third party.
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Formula
C27H44O4
Net Charge
0
Average Mass
432.63590
Monoisotopic Mass
432.32396
InChI
InChI=1S/C27H44O4/c1-
16(6-
5-
7-
17(2)
25(30)
31)
20-
8-
9-
21-
24-
22(11-
13-
27(20,21)
4)
26(3)
12-
10-
19(28)
14-
18(26)
15-
23(24)
29/h15-
17,19-
24,28-
29H,5-
14H2,1-
4H3,(H,30,31)
/t16-
,17?,19+,20-
,21+,22+,23-
,24+,26+,27-
/m1/s1
InChIKey
GYJSAWZGYQXRBS-GRJZKGIBSA-N
SMILES
C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing
3beta,7alpha-Dihydroxy-5-cholestenoate (
CHEBI:81015
)
is a
cholanoid (
CHEBI:36078
)
Synonym
Source
3beta,7alpha-Dihydroxy-5-cholesten-26-oic acid
KEGG COMPOUND
Manual Xrefs
Databases
C17335
KEGG COMPOUND
HMDB0012454
HMDB
View more database links
Registry Number
Type
Source
115538-84-6
CAS Registry Number
KEGG COMPOUND