CHEBI:165307 - 16,16-Dimethyl-PGF2beta

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 16,16-Dimethyl-PGF2beta
ChEBI ID CHEBI:165307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H38O5
Net Charge 0
Average Mass 382.541
Monoisotopic Mass 382.27192
InChI InChI=1S/C22H38O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-20,23-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,18-,19-,20-/m1/s1
InChIKey YMRWVEHSLXJOCD-OPVFONCOSA-N
SMILES O[C@H]1[C@@H]([C@H]([C@H](O)C1)/C=C/[C@@H](O)C(CCCC)(C)C)C/C=C\CCCC(O)=O
ChEBI Ontology
Outgoing 16,16-Dimethyl-PGF2beta (CHEBI:165307) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2R,3R,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]cyclopentyl]hept-5-enoic acid
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