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1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(11Z-eicosenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM139453 Image of MNXM139453
referenceslm:000219419
formulaC63H110O5
global charge0
mol weight947.568
InChIKeyNDYFDDSWBRUENE-KXQWITRLSA-N
InChIInChI=1S/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H110O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-61(59-66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)60-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,25-26,28-29,32,34,39,42,48,51,61H,4-6,8-9,11-15,17-18,20-24,27,30-31,33,35-38,40-41,43-47,49-50,52-60H2,1-3H3/b10-7-,19-16-,28-25-,29-26-,34-32-,42-39-,51-48-/t61-/m1/s1 Image of MNXM139453
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:32]=[CH:34]\[CH2:36]/[CH:39]=[CH:42]\[CH2:45]/[CH:48]=[CH:51]\[CH2:54][CH2:57][C:63](=[O:65])[O:68][C@H:61]([CH2:59][O:66][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])[CH2:60][O:67][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000219419
slm:000219419
NDYFDDSWBRUENE-KXQWITRLSA-N 		1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(11Z-eicosenoyl)-sn-glycerol
Monoalkyldiacylglycerol (O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
TG(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))
hmdb:HMDB0050850
NDYFDDSWBRUENE-KXQWITRLSA-N 		TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/O-18:0)
(2R)-1-[(11Z)-Icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
(2R)-1-[(11Z)-icos-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(11-Eicosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-octadecanyl-glycerol
1-Eicosenoyl-2-docosahexaenoyl-3-stearyl-glycerol
TAG(20:1/22:6/18:0)
TAG(60:7)
TG(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(20:1/22:6/18:0)
TG(60:7)
Tracylglycerol(20:1/22:6/18:0)
Tracylglycerol(60:7)
Triacylglycerol
Triglyceride

hmdb:HMDB50850 		secondary/obsolete/fantasy identifier