CHEBI:165328 - Dihomo-PGI2

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Dihomo-PGI2
ChEBI ID CHEBI:165328
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000005820810
Download Molfile XML SDF
Formula C22H36O5
Net Charge 0
Average Mass 380.525
Monoisotopic Mass 380.25627
InChI InChI=1S/C22H36O5/c1-2-3-6-9-16(23)12-13-18-19-14-17(27-21(19)15-20(18)24)10-7-4-5-8-11-22(25)26/h10,12-13,16,18-21,23-24H,2-9,11,14-15H2,1H3,(H,25,26)/b13-12+,17-10-/t16-,18+,19+,20+,21-/m0/s1
InChIKey ITVMMMCBRSJVKT-HSGSPTTCSA-N
SMILES O/1[C@@]2([C@@]([C@H]([C@H](O)C2)/C=C/[C@@H](O)CCCCC)(C\C1=C\CCCCCC(O)=O)[H])[H]
ChEBI Ontology
Outgoing Dihomo-PGI2 (CHEBI:165328) is a prostanoid (CHEBI:26347)
IUPAC Name
(7Z)-7-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-ylidene]heptanoic acid
Manual Xrefs Databases
24822066 ChemSpider
LMFA03010195 LIPID MAPS
View more database links