CHEBI:186010 - punaglandin 6

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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 punaglandin 6
ChEBI ID CHEBI:186010
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H37ClO8
Net Charge 0
Average Mass 501.010
Monoisotopic Mass 500.21770
InChI InChI=1S/C25H37ClO8/c1-5-6-7-8-9-10-14-25(31)16-20(26)24(30)19(25)15-22(34-18(3)28)21(33-17(2)27)12-11-13-23(29)32-4/h9-10,16,19,21-22,31H,5-8,11-15H2,1-4H3/b10-9-/t19-,21-,22-,25+/m0/s1
InChIKey UQSBPTWIGBVTJJ-WRXYSHGISA-N
SMILES ClC=1C(=O)[C@@H]([C@@](O)(C/C=C\CCCCC)C1)C[C@H](OC(=O)C)[C@@H](OC(=O)C)CCCC(OC)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing punaglandin 6 (CHEBI:186010) is a clavulone (CHEBI:36092)
IUPAC Name
methyl (5S,6S)-5,6-diacetyloxy-7-[(1R,2S)-4-chloro-2-hydroxy-2-[(Z)-oct-2-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate
Manual Xrefs Databases
4446379 ChemSpider
LMFA03120043 LIPID MAPS
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