CHEBI:176067 - Prostaglandin PGE2 glyceryl 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 Prostaglandin PGE2 glyceryl ester
ChEBI ID CHEBI:176067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H38O7
Net Charge 0
Average Mass 426.550
Monoisotopic Mass 426.26175
InChI InChI=1S/C23H38O7/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)30-18(15-24)16-25/h4,7,12-13,17-20,22,24-26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19-,20-,22-/m0/s1
InChIKey HJWDPZIOTMUWRW-KSGZNQJUSA-N
SMILES O[C@@H]1[C@H]([C@@H](C(=O)C1)C/C=C\CCCC(OC(CO)CO)=O)/C=C/[C@@H](O)CCCCC
ChEBI Ontology
Outgoing Prostaglandin PGE2 glyceryl ester (CHEBI:176067) is a prostanoid (CHEBI:26347)
IUPAC Name
1,3-dihydroxypropan-2-yl (Z)-7-[(1S,2S,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoate
Manual Xrefs Databases
30776688 ChemSpider
HMDB0013045 HMDB
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