Search MNXref
 Feedback

resolvin D4

PropertiesImage
MNX_IDMNXM80712 Image of MNXM80712
referencechebi:138649
formulaC22H32O5
global charge0
mol weight376.493
InChIKeyYKPLJNOOLKUEBS-RIYRYSNMSA-N
InChIInChI=1S/C22H32O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21(25)17-18-22(26)27/h3-4,6-13,15-16,19-21,23-25H,2,5,14,17-18H2,1H3,(H,26,27)/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20+,21-/m0/s1
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCC(=O)O
MNX internals
InChI (mnx)InChI=1/C22H32O5/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20(24)21(25)17-18-22(26)27/h3-4,6-13,15-16,19-21,23-25H,2,5,14,17-18H2,1H3,(H,26,27)/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20+,21-/m0/s1 Image of MNXM80712
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:11]\[CH2:14][C@@H:19](/[CH:15]=[CH:12]/[CH:9]=[CH:7]\[CH2:5]/[CH:4]=[CH:6]\[CH:8]=[CH:10]\[CH:13]=[CH:16]\[C@H:20]([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-9024792
reactomeM:R-ALL-9024792
reactome:R-ALL-9024794
reactomeM:R-ALL-9024794
CHEBI:138649
chebi:138649
YKPLJNOOLKUEBS-RIYRYSNMSA-N 		resolvin D4
(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid
(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosahexaenoic acid
RvD4

seed.compound:cpd34667
seedM:cpd34667
YKPLJNOOLKUEBS-RIYRYSNMSA-M 		(4S,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoate
4S,5-17S-resolvin
resolvin D4

metacyc.compound:CPD66-82
metacycM:CPD66-82
YKPLJNOOLKUEBS-RIYRYSNMSA-M 		resolvin D4
(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoate
4S,5R-17S-resolvin
RvD4

seedM:M_cpd34667 		secondary/obsolete/fantasy identifier