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1-heneicosanoyl-2-(13Z,16Z-docosadienoyl)-3-(17Z-hexacosenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM356833 Image of MNXM356833
referenceslm:000295045
formulaC72H134O6
global charge0
mol weight1095.858
InChIKeyODEJMMUXQLEUSQ-DDPGJNTASA-N
InChIInChI=1S/C72H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-39-41-44-47-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-49-46-43-40-33-30-27-24-21-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-48-45-42-38-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,69H,4-16,18-19,21-24,27,30-68H2,1-3H3/b20-17-,28-25-,29-26-/t69-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C72H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-36-37-39-41-44-47-50-53-56-59-62-65-71(74)77-68-69(67-76-70(73)64-61-58-55-52-49-46-43-40-33-30-27-24-21-18-15-12-9-6-3)78-72(75)66-63-60-57-54-51-48-45-42-38-32-29-26-23-20-17-14-11-8-5-2/h17,20,25-26,28-29,69H,4-16,18-19,21-24,27,30-68H2,1-3H3/b20-17-,28-25-,29-26-/t69-/m1/s1 Image of MNXM356833
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][CH2:65][C:71](=[O:74])[O:77][CH2:68][C@@H:69]([CH2:67][O:76][C:70]([CH2:64][CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:73])[O:78][C:72]([CH2:66][CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:38][CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:75]
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:000295045
slm:000295045
ODEJMMUXQLEUSQ-DDPGJNTASA-N
1-heneicosanoyl-2-(13Z,16Z-docosadienoyl)-3-(17Z-hexacosenoyl)-sn-glycerol
TG(21:0/22:2(13Z,16Z)/26:1(17Z))
Triacylglycerol (21:0/22:2(13Z,16Z)/26:1(17Z))