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aspirin-triggered resolvin D3

PropertiesImage
MNX_IDMNXM42905 Image of MNXM42905
referencechebi:138615
formulaC22H32O5
global charge0
mol weight376.493
InChIKeyQBTJOLCUKWLTIC-AXRBAIMGSA-N
InChIInChI=1S/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20+,21-/m1/s1
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCC(=O)O
MNX internals
InChI (mnx)InChI=1/C22H32O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-11,13-14,16,19-21,23-25H,2,12,15,17-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+,16-9-/t19-,20+,21-/m1/s1 Image of MNXM42905
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:7]\[CH2:12][C@H:19](/[CH:14]=[CH:10]/[CH:6]=[CH:11]\[CH2:15][C@H:20](/[CH:13]=[CH:8]/[CH:4]=[CH:5]/[CH:9]=[CH:16]\[C@H:21]([CH2:17][CH2:18][C:22](=[O:26])[OH:27])[OH:25])[OH:24])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9024591
reactomeM:R-ALL-9024591
reactome:R-ALL-9024592
reactomeM:R-ALL-9024592
CHEBI:138615
chebi:138615
QBTJOLCUKWLTIC-AXRBAIMGSA-N 		aspirin-triggered resolvin D3
(4S,5Z,7E,9E,11R,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
(4S,5Z,7E,9E,11R,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosahexaenoic acid
17-epi-RvD3
17-epi-resolvin D3
AT-RvD3
AT-resolvin D3
aspirin-triggered RvD3

seed.compound:cpd32575
seedM:cpd32575
QBTJOLCUKWLTIC-AXRBAIMGSA-M 		(4S,5Z,7E,9E,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoate
4S,11,17R- trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoate
aspirin triggered resolvin D3

lipidmaps:LMFA04030008
lipidmapsM:LMFA04030008
QBTJOLCUKWLTIC-AXRBAIMGSA-N 		AT-Resolvin D3
4S,11R,17R- trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoic-acid
AT-RvD3
FA 22:6
O3

metacyc.compound:CPD66-62
metacycM:CPD66-62
QBTJOLCUKWLTIC-AXRBAIMGSA-M 		aspirin triggered resolvin D3
(4S,5Z,7E,9E,11R,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoate
4S,11R,17R- trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoate

seedM:M_cpd32575 		secondary/obsolete/fantasy identifier