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10S,11R-epoxy-punaglandin 3

Properties

Image

Occurences in reactions

MNX_ID

MNXM33071

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₅H₃₃ClO₉

charge

mass

512.18131

reference

chebi:169911

InChIKey

ZXSDFJZDMJBPKR-OHUDOUDKSA-N

InChI

InChI=1S/C25H33ClO9/c1-5-6-7-8-9-10-14-24(31)18(22(30)25(26)23(24)35-25)15-20(34-17(3)28)19(33-16(2)27)12-11-13-21(29)32-4/h6-7,9-10,15,19-20,23,31H,5,8,11-14H2,1-4H3/b7-6-,10-9-,18-15-/t19-,20-,23+,24-,25-/m0/s1

SMILES

CC/C=C\C/C=C\C[C@]1(O)/C(=C\[C@H](OC(C)=O)[C@H](CCCC(=O)OC)OC(C)=O)C(=O)[C@]2(Cl)O[C@@H]21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:169911 chebi:169911	10S,11R-epoxy-punaglandin 3 methyl (5S,6S,7E)-5,6-diacetyloxy-7-[(1S,4S,5R)-1-chloro-4-hydroxy-4-[(2Z,5Z)-octa-2,5-dienyl]-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]heptanoate
lipidmaps:LMFA03120039 lipidmapsM:LMFA03120039	10S,11R-epoxy-punaglandin 3 methyl 5S,6S-diacetoxy-9-oxo-10S-chloro-10S,11R-epoxy-12S-hydroxy-7E,14Z,17Z-prostatrienoate-cyclo[8,12R]