loading...| Preferred Name |
Cloprostenol |
|
| Synonyms |
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_177470 |
|
| charge |
0 |
|
| database_cross_reference |
Chemspider:4470590 LINCS:LSM-43613 CAS:40665-92-7 KEGG:D02727 DrugBank:DB11507 |
|
| formula |
C22H29ClO6 |
|
| has_exact_synonym |
(Z)-7-[(1R,2R,3R,5S)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:177470 |
|
| in_subset | ||
| inchi |
InChI=1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1 |
|
| inchikey |
VJGGHXVGBSZVMZ-QIZQQNKQSA-N |
|
| label |
Cloprostenol |
|
| mass |
424.920 |
|
| monoisotopicmass |
424.16527 |
|
| notation |
CHEBI:177470 |
|
| prefLabel |
Cloprostenol |
|
| smiles |
ClC=1C=C(OC[C@H](O)\C=C\[C@@H]2[C@H]([C@@H](O)C[C@H]2O)C/C=C\CCCC(O)=O)C=CC1 |
|
| subClassOf |