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

PropertiesImage
MNX_IDMNXM137251 Image of MNXM137251
referenceslm:000248604
formulaC65H110O6
global charge0
mol weight987.589
InChIKeySVWPUVFSSUBDCL-ORNOGJQNSA-N
InChIInChI=1S/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/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)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H110O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,32,34,36,40,43,49,52,62H,4-6,8-9,11-15,17,20,22-24,26,29-31,33,35,37-39,41-42,44-48,50-51,53-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,34-32-,36-27-,43-40-,52-49-/t62-/m0/s1 Image of MNXM137251
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:32]=[CH:34]\[CH2:37]/[CH:40]=[CH:43]\[CH2:46]/[CH:49]=[CH:52]\[CH2:55][CH2:58][C:64](=[O:67])[O:70][CH2:61][C@H:62]([CH2:60][O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:36]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66])[O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68]
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:000248604
slm:000248604
SVWPUVFSSUBDCL-ORNOGJQNSA-N
1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-docosanoyl-3-(9Z,12Z-octadecadienoyl)-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/18:2(9Z,12Z))
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:0/18:2(9Z,12Z))
hmdb:HMDB0052484
SVWPUVFSSUBDCL-ORNOGJQNSA-N
TG(18:2(9Z,12Z)/22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-2-(docosanoyloxy)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(9Z,12Z-Octadecadienoyl)-2-docosanoyl-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
1-Linoleoyl-2-behenoyl-3-docosahexaenoyl-glycerol
TAG(18:2/22:0/22:6)
TAG(62:8)
TG(18:2/22:0/22:6)
TG(62:8)
Tracylglycerol(18:2/22:0/22:6)
Tracylglycerol(62:8)
Triacylglycerol
Triglyceride

hmdb:HMDB52484
secondary/obsolete/fantasy identifier