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aspirin-triggered resolvin D1

Properties

Image

Occurences in reactions

MNX_ID

MNXM42903

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₂H₃₂O₅

charge

mass

376.22497

reference

chebi:138179

InChIKey

OIWTWACQMDFHJG-BJEBZIPWSA-N

InChI

InChI=1S/C22H32O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19-21,23-25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,20-,21+/m1/s1

SMILES

CC/C=C\C[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)C/C=C\CCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138179 chebi:138179	aspirin-triggered resolvin D1 (4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid (4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosahexaenoic acid 17(R)-RvD1 17(R)-resolvin D1 17-epi-resolvin D1 7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid AT-Resolvin D1 AT-RvD1
seed.compound:cpd33091 seedM:cpd33091	7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoate aspirin triggered resolvin D1
lipidmaps:LMFA04030005 lipidmapsM:LMFA04030005	AT-Resolvin D1 7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid AT-RvD1 FA 22:6 O3
metacyc.compound:CPD66-59 metacycM:CPD66-59	aspirin triggered resolvin D1 (4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoate 7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoate
seedM:M_cpd33091	secondary/obsolete/fantasy identifier