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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | 11-dehydro-thromboxane B2 | |
| Synonyms |
11-Dehydrothromboxane 11-DehydroTXB2 11-Dehydro-txb2 (5E)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl]hept-5-enoic acid 11-Dehydrothromboxane B2 11-Keto-thromboxane B2 11-dehydro-TXB2 (5Z,13E,15S)-9alpha,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid 11-Dehydro-thromboxane B2 |
|
| Definitions |
A thromboxane obtained by formal oxidation of the hemiacetal hydroxy function of thromboxane B2. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_28667 |
|
| charge |
0
|
|
| database_cross_reference |
KEGG:C05964 CAS:67910-12-7 LIPID_MAPS_instance:LMFA03030004 HMDB:HMDB0004242 Reaxys:5826438
|
|
| definition |
A thromboxane obtained by formal oxidation of the hemiacetal hydroxy function of thromboxane B2.
|
|
| formula |
C20H32O6
|
|
| has functional parent | ||
| has role | ||
| has_alternative_id |
CHEBI:710 CHEBI:19122
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|
| has_exact_synonym |
(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid 11-Dehydro-thromboxane B2
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
11-Dehydrothromboxane 11-DehydroTXB2 11-Dehydro-txb2 (5E)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl]hept-5-enoic acid 11-Dehydrothromboxane B2 11-Keto-thromboxane B2 11-dehydro-TXB2
|
|
| id |
CHEBI:28667
|
|
| in_subset | ||
| inchi |
InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
|
|
| inchikey |
KJYIVXDPWBUJBQ-UHHGALCXSA-N
|
|
| is conjugate acid of | ||
| label |
11-dehydro-thromboxane B2
|
|
| mass |
368.46448
|
|
| monoisotopicmass |
368.21989
|
|
| notation |
CHEBI:28667
|
|
| prefLabel |
11-dehydro-thromboxane B2
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|
| smiles |
CCCCC[C@H](O)\C=C\[C@H]1OC(=O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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| treeView | ||
| subClassOf |
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