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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(13Z-docosenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM142535 Image of MNXM142535
referenceslm:000274636
formulaC69H110O6
global charge0
mol weight1035.633
InChIKeyHGCIMPNGUKMKFS-DBGYPZGVSA-N
InChIInChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,34,36-37,39,43,45-46,48,52,54-55,57,66H,4-6,8-9,11-15,17,20,22-24,31-33,35,38,40-42,44,47,49-51,53,56,58-65H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,37-34-,39-36-,46-43-,48-45-,55-52-,57-54-/t66-/m1/s1 Image of MNXM142535
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:34]=[CH:37]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49]/[CH:52]=[CH:55]\[CH2:58][CH2:61][C:67](=[O:70])[O:73][CH2:64][C@H:66]([CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:71])[O:75][C:69]([CH2:63][CH2:60]/[CH:57]=[CH:54]\[CH2:51]/[CH:48]=[CH:45]\[CH2:42]/[CH:39]=[CH:36]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72]
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:000274636
slm:000274636
HGCIMPNGUKMKFS-DBGYPZGVSA-N 		1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(13Z-docosenoyl)-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
hmdb:HMDB0051797
HGCIMPNGUKMKFS-DBGYPZGVSA-N 		TG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-3-[(13Z)-docos-13-enoyloxy]-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(13Z-Docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
1-Erucoyl-2-osbondoyl-3-docosahexaenoyl-glycerol
TAG(22:1/22:5/22:6)
TAG(66:12)
TG(22:1/22:5/22:6)
TG(66:12)
Tracylglycerol(22:1/22:5/22:6)
Tracylglycerol(66:12)
Triacylglycerol
Triglyceride

hmdb:HMDB51797 		secondary/obsolete/fantasy identifier