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Examples:
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,
InChI=1S/CH4O/c1-2/h2H,1H3
,
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ChEBI
> Main
CHEBI:89991 - 2,3-Dinor-TXB2
Main
ChEBI Ontology
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ChEBI Name
2,3-Dinor-TXB2
ChEBI ID
CHEBI:89991
Stars
This entity has been manually annotated by a third party.
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Formula
C18H30O6
Net Charge
0
Average Mass
342.428
Monoisotopic Mass
342.20424
InChI
InChI=1S/C18H30O6/c1-
2-
3-
4-
7-
13(19)
10-
11-
16-
14(8-
5-
6-
9-
17(21)
22)
15(20)
12-
18(23)
24-
16/h5-
6,10-
11,13-
16,18-
20,23H,2-
4,7-
9,12H2,1H3,(H,21,22)
/b6-
5-
,11-
10+/t13-
,14-
,15-
,16+,18?/m0/s1
InChIKey
RJHNVFKNIJQTQF-LMIBIYGPSA-N
SMILES
O[C@@H](CCCCC)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CC(O)=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
ChEBI Ontology
Outgoing
2,3-Dinor-TXB2 (
CHEBI:89991
)
is a
thromboxane (
CHEBI:26995
)
Synonyms
Sources
(3Z)-5-[(2R,3S,4S)-4,6-dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]pent-3-enoic acid
HMDB
2,3-Dinor-thromboxane
HMDB
2,3-Dinorthromboxane
HMDB
Manual Xref
Database
HMDB0002904
HMDB
View more database links
Registry Number
Type
Source
63250-09-9
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
10941682
PubMed citation
Europe PMC
11090066
PubMed citation
Europe PMC
12679187
PubMed citation
Europe PMC
1868436
PubMed citation
Europe PMC
6517904
PubMed citation
Europe PMC
8252718
PubMed citation
Europe PMC
8308478
PubMed citation
Europe PMC
9373880
PubMed citation
Europe PMC