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1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM137342 Image of MNXM137342
referenceslm:000196504
formulaC61H104O5
global charge0
mol weight917.498
InChIKeyCXLPEBTXBZGCNW-KHRLDHHPSA-N
InChIInChI=1S/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/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)CCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C61H104O5/c1-4-7-10-13-16-19-22-25-28-30-31-32-34-37-40-43-46-49-52-55-61(63)66-59(57-64-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)58-65-60(62)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,18-19,21,25,27-28,31-33,37,40,46,49,59H,4-6,8-9,11-15,17,20,22-24,26,29-30,34-36,38-39,41-45,47-48,50-58H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,32-31-,33-27-,40-37-,49-46-/t59-/m1/s1 Image of MNXM137342
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:31]=[CH:32]\[CH2:34]/[CH:37]=[CH:40]\[CH2:43]/[CH:46]=[CH:49]\[CH2:52][CH2:55][C:61](=[O:63])[O:66][C@H:59]([CH2:57][O:64][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])[CH2:58][O:65][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:33]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62]
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:000196504
slm:000196504
CXLPEBTXBZGCNW-KHRLDHHPSA-N 		1-O-octadecyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
Monoalkyldiacylglycerol (O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
TG(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z))
hmdb:HMDB0052830
CXLPEBTXBZGCNW-KHRLDHHPSA-N 		TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/O-18:0)
(2R)-1-[(9Z,12Z)-Octadeca-9,12-dienoyloxy]-3-(octadecyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(9Z,12Z-Octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-octadecanyl-glycerol
1-Linoleoyl-2-docosahexaenoyl-3-stearyl-glycerol
TAG(18:2/22:6/18:0)
TAG(58:8)
TG(18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0)
TG(18:2/22:6/18:0)
TG(58:8)
Tracylglycerol(18:2/22:6/18:0)
Tracylglycerol(58:8)
Triacylglycerol
Triglyceride

hmdb:HMDB52830 		secondary/obsolete/fantasy identifier