CHEBI:175297 - 9-Deoxy-delta12-PGD2

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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 9-Deoxy-delta12-PGD2
ChEBI ID CHEBI:175297
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H32O4
Net Charge 0
Average Mass 336.472
Monoisotopic Mass 336.23006
InChI InChI=1S/C20H32O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,14,16-17,21H,2-3,5-6,8-13,15H2,1H3,(H,23,24)/b7-4-,18-14+/t16-,17-/m0/s1
InChIKey JTEYGOLPGOYFJI-GJGHEGAFSA-N
SMILES O=C1\C(\[C@H](CC1)C/C=C\CCCC(O)=O)=C\C[C@@H](O)CCCCC
ChEBI Ontology
Outgoing 9-Deoxy-delta12-PGD2 (CHEBI:175297) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,2E)-2-[(3S)-3-hydroxyoctylidene]-3-oxocyclopentyl]hept-5-enoic acid
Manual Xrefs Databases
30778532 ChemSpider
HMDB0060103 HMDB
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