CHEBI:189875 - 17-U-46619

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 17-U-46619
ChEBI ID CHEBI:189875
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H32O4
Net Charge 0
Average Mass 348.483
Monoisotopic Mass 348.23006
InChI InChI=1S/C21H32O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h3-4,6-7,12-13,16-20,22H,2,5,8-11,14-15H2,1H3,(H,23,24)/b6-3-,7-4-,13-12+/t16-,17+,18+,19+,20-/m1/s1
InChIKey XXHSKVZXPIQTFH-CKBZENMVSA-N
SMILES O1[C@]2([C@H]([C@H]([C@](C2)(C1)[H])C/C=C\CCCC(O)=O)/C=C/[C@@H](O)C/C=C\CC)[H]
Metabolite of Species Details
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
ChEBI Ontology
Outgoing 17-U-46619 (CHEBI:189875) is a prostanoid (CHEBI:26347)
IUPAC Name
(Z)-7-[(1R,4S,5S,6S)-6-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-2-oxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Manual Xref Database
29341951 ChemSpider
View more database links