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resolvin D3

PropertiesImage
MNX_IDMNXM80711 Image of MNXM80711
referencechebi:138648
formulaC22H32O5
global charge0
mol weight376.493
InChIKeyQBTJOLCUKWLTIC-UZAFJXHNSA-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+/m0/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+/m0/s1 Image of MNXM80711
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-9024807
reactomeM:R-ALL-9024807
reactome:R-ALL-9024819
reactomeM:R-ALL-9024819
CHEBI:138648
chebi:138648
QBTJOLCUKWLTIC-UZAFJXHNSA-N 		resolvin D3
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosahexaenoic acid
RvD3

seed.compound:cpd35152
seedM:cpd35152
QBTJOLCUKWLTIC-UZAFJXHNSA-M 		(4S,5Z,7E,9E,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoate
4S,11,17S- trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoate
resolvin D3

lipidmaps:LMFA04030018
lipidmapsM:LMFA04030018
QBTJOLCUKWLTIC-UZAFJXHNSA-N 		Resolvin D3-d5
4S,11R,17S-trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoic-21,21,22,22,22-d5 acid
RvD3-d5

lipidmaps:LMFA04030012
lipidmapsM:LMFA04030012
QBTJOLCUKWLTIC-UZAFJXHNSA-N 		Resolvin D3
4S,11R,17S-trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoic acid
FA 22:6
O3
RvD3

metacyc.compound:CPD66-81
metacycM:CPD66-81
QBTJOLCUKWLTIC-UZAFJXHNSA-M 		resolvin D3
(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoate
4S,11R,17S- trihydroxy-5Z,7E,9E,13Z,15E,19Z-docosahexaenoate
RvD3

seedM:M_cpd35152 		secondary/obsolete/fantasy identifier