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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | carboprost | |
| Synonyms |
(15S)-15-methyl-PGF2alpha 15(S)-15-methylprostaglandin F2alpha 15(S)-15-methyl-PGF2alpha carboprost (15S)-15-methylprostaglandin F2alpha carboprostum (5Z,13E,15S)-9alpha,11alpha,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid |
|
| Definitions |
Prostaglandin F2alpha in which the hydrogen at position 15 is substituted by methyl (S configuration). It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_3403 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:15104835 PMID:26622459 PMID:25822922 Wikipedia:Carboprost Drug_Central:502 PMID:28526143 DrugBank:DB00429 PMID:32695003 PMID:26149245 Beilstein:2949991 PMID:17692579 KEGG:D02343 PMID:27651609 PMID:30293295 Patent:US3728382 Chemspider:4444532 PMID:17267874 CAS:35700-23-3 PMID:25643261 PMID:24348762 Patent:DE2121980 KEGG:C06872
|
|
| definition |
Prostaglandin F2alpha in which the hydrogen at position 15 is substituted by methyl (S configuration). It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy.
|
|
| formula |
C21H36O5
|
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
(5Z,13E,15S)-9alpha,11alpha,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
(15S)-15-methyl-PGF2alpha 15(S)-15-methylprostaglandin F2alpha 15(S)-15-methyl-PGF2alpha carboprost (15S)-15-methylprostaglandin F2alpha carboprostum
|
|
| id |
CHEBI:3403
|
|
| in_subset | ||
| inchi |
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1
|
|
| inchikey |
DLJKPYFALUEJCK-IIELGFQLSA-N
|
|
| is conjugate acid of | ||
| label |
carboprost
|
|
| mass |
368.514
|
|
| monoisotopicmass |
368.25627
|
|
| notation |
CHEBI:3403
|
|
| prefLabel |
carboprost
|
|
| smiles |
CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O
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| treeView | ||
| subClassOf |
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