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CHEBI:165307 - 16,16-Dimethyl-PGF2beta

ChEBI IDCHEBI:165307
ChEBI Name16,16-Dimethyl-PGF2beta
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SubmitterMetaboLights
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FormulaC22H38O5
Net Charge0
Average Mass382.541
Monoisotopic Mass382.27192
SMILESCCCCC(C)(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](O)C[C@H]1O
InChIInChI=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
InChIKeyYMRWVEHSLXJOCD-OPVFONCOSA-N
ChEBI Ontology
Outgoing Relation(s)
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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