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AT-Resolvin D4

PropertiesImage
MNX_IDMNXM1593417 Image of MNXM1593417
referencevmhM:atrvd4
vmhM:atrvd4
formulaC22H31O5
global charge-1
mol weight375.485
InChIKeyYKPLJNOOLKUEBS-YACYCFHWSA-M
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)/p-1/b6-4+,9-7-,10-8-,11-3-,15-12+,16-13-/t19-,20-,21+/m1/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+/m1/s1 Image of MNXM1593417
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]([OH:26])=[O: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

vmhM:atrvd4
vmhM:atrvd4
vmhmetabolite:atrvd4
vmhmetabolite:atrvd4
YKPLJNOOLKUEBS-YACYCFHWSA-M 		AT-Resolvin D4

vmhM:M_atrvd4 		secondary/obsolete/fantasy identifier