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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:89982 - 8-Dehydrocholesterol
Main
ChEBI Ontology
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ChEBI Name
8-Dehydrocholesterol
ChEBI ID
CHEBI:89982
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C27H44O
Net Charge
0
Average Mass
384.639
Monoisotopic Mass
384.33922
InChI
InChI=1S/C27H44O/c1-
18(2)
7-
6-
8-
19(3)
23-
11-
12-
24-
22-
10-
9-
20-
17-
21(28)
13-
15-
26(20,4)
25(22)
14-
16-
27(23,24)
5/h9,18-
19,21,23-
24,28H,6-
8,10-
17H2,1-
5H3/t19-
,21+,23-
,24+,26+,27-
/m1/s1
InChIKey
VUKORTMHZDZZFR-BXAZICILSA-N
SMILES
C1[C@@H](CC=2[C@](C1)(C3=C(CC2)[C@]4([C@](CC3)([C@](CC4)([C@H](C)CCCC(C)C)[H])C)[H])C)O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in cerebrospinal fluid
(UBERON:0001359)
. See:
PubMed
ChEBI Ontology
Outgoing
8-Dehydrocholesterol (
CHEBI:89982
)
is a
steroid (
CHEBI:35341
)
Synonyms
Sources
(2S,5S,11R,14R,15R)-
2,15-
dimethyl-
14-
[(2R)-
6-
methylheptan-
2-
yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-
1(10),7-
dien-
5-
ol
HMDB
3b-Cholesta-5,8-dien-3-ol
HMDB
Manual Xref
Database
HMDB0002027
HMDB
View more database links
Registry Number
Type
Source
70741-38-7
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
10947201
PubMed citation
Europe PMC
16231320
PubMed citation
Europe PMC
16435228
PubMed citation
Europe PMC
16761297
PubMed citation
Europe PMC
9266395
PubMed citation
Europe PMC