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Examples:
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InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:89567 - CE(15:1)
Main
ChEBI Ontology
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ChEBI Name
CE(15:1)
ChEBI ID
CHEBI:89567
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C42H72O2
Net Charge
0
Average Mass
609.021
Monoisotopic Mass
608.55323
InChI
InChI=1S/C42H72O2/c1-
7-
8-
9-
10-
11-
12-
13-
14-
15-
16-
17-
18-
22-
40(43)
44-
35-
27-
29-
41(5)
34(31-
35)
23-
24-
36-
38-
26-
25-
37(33(4)
21-
19-
20-
32(2)
3)
42(38,6)
30-
28-
39(36)
41/h11-
12,23,32-
33,35-
39H,7-
10,13-
22,24-
31H2,1-
6H3/b12-
11+/t33-
,35+,36+,37?,38+,39+,41+,42-
/m1/s1
InChIKey
TWLPMPGSSFTOAZ-VVLOTQQHSA-N
SMILES
C1[C@@H]
(CC=2[C@]
(C1)
([C@@]
3([C@@]
(CC2)
([C@]
4([C@@]
(CC3)
(C)
C(CC4)
[C@@H]
(CCCC(C)
C)
C)
[H]
)
[H]
)
[H]
)
C)
OC(=O)
CCCCCCC/C=C/CCCCC
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in blood
(UBERON:0000178)
. See:
PubMed
ChEBI Ontology
Outgoing
CE(15:1) (
CHEBI:89567
)
is a
cholesteryl ester (
CHEBI:17002
)
Synonym
Source
(1S,2R,5S,10S,11S,15R)-
2,15-
dimethyl-
14-
[(2R)-
6-
methylheptan-
2-
yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-
7-
en-
5-
yl (9E)-
pentadec-
9-
enoate
HMDB
Manual Xref
Database
HMDB0060056
HMDB
View more database links
Citation
Type
Source
20671299
PubMed citation
Europe PMC