CHEBI:165338 - PGI2-EA

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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 PGI2-EA
ChEBI ID CHEBI:165338
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H37NO5
Net Charge 0
Average Mass 395.540
Monoisotopic Mass 395.26717
InChI InChI=1S/C22H37NO5/c1-2-3-4-7-16(25)10-11-18-19-14-17(28-21(19)15-20(18)26)8-5-6-9-22(27)23-12-13-24/h8,10-11,16,18-21,24-26H,2-7,9,12-15H2,1H3,(H,23,27)/b11-10+,17-8-/t16-,18+,19+,20+,21-/m0/s1
InChIKey QLBALZYOTXGTDQ-VFFCLECNSA-N
SMILES O/1[C@@]2([C@@]([C@H]([C@H](O)C2)/C=C/[C@@H](O)CCCCC)(C\C1=C\CCCC(=O)NCCO)[H])[H]
ChEBI Ontology
Outgoing PGI2-EA (CHEBI:165338) is a prostanoid (CHEBI:26347)
IUPAC Name
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-ylidene]-N-(2-hydroxyethyl)pentanamide
Manual Xref Database
LMFA03010218 LIPID MAPS
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