CHEBI:142507 - 13,14-dihydro-15-keto PGF2α isopropyl ester

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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 13,14-dihydro-15-keto PGF2α isopropyl ester
ChEBI ID CHEBI:142507
ChEBI ASCII Name 13,14-dihydro-15-keto PGF2alpha isopropyl ester
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C23H40O5
Net Charge 0
Average Mass 396.562
Monoisotopic Mass 396.28757
InChI InChI=1S/C23H40O5/c1-4-5-8-11-18(24)14-15-20-19(21(25)16-22(20)26)12-9-6-7-10-13-23(27)28-17(2)3/h6,9,17,19-22,25-26H,4-5,7-8,10-16H2,1-3H3/b9-6-/t19-,20-,21+,22-/m1/s1
InChIKey HMEIMGKBZAEAEM-KKWQAXMHSA-N
SMILES [C@H]1([C@H]([C@H](C[C@H]1O)O)C/C=C\CCCC(OC(C)C)=O)CCC(CCCCC)=O
ChEBI Ontology
Outgoing 13,14-dihydro-15-keto PGF2α isopropyl ester (CHEBI:142507) has functional parent 13,14-dihydro-15-keto-PGF2α (CHEBI:63976)
13,14-dihydro-15-keto PGF2α isopropyl ester (CHEBI:142507) is a isopropyl ester (CHEBI:35725)
13,14-dihydro-15-keto PGF2α isopropyl ester (CHEBI:142507) is a ketone (CHEBI:17087)
13,14-dihydro-15-keto PGF2α isopropyl ester (CHEBI:142507) is a prostaglandins Fα (CHEBI:36066)
Manual Xref Database
8354404 ChemSpider
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Last Modified
06 ноября 2018