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1-(9Z,12Z-octadecadienoyl)-2-(13Z-docosenoyl)-3-hexacosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM326173 Image of MNXM326173
referenceslm:000283110
formulaC69H128O6
global charge0
mol weight1053.777
InChIKeyNGJGIVKFBZMTQY-QKGYOSJESA-N
InChIInChI=1S/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-37-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-36-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,40,66H,4-17,19-20,22-25,28,30-39,41-65H2,1-3H3/b21-18-,29-26-,40-27-/t66-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H128O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-34-35-37-38-41-44-47-50-53-56-59-62-68(71)74-65-66(64-73-67(70)61-58-55-52-49-46-43-40-27-24-21-18-15-12-9-6-3)75-69(72)63-60-57-54-51-48-45-42-39-36-31-29-26-23-20-17-14-11-8-5-2/h18,21,26-27,29,40,66H,4-17,19-20,22-25,28,30-39,41-65H2,1-3H3/b21-18-,29-26-,40-27-/t66-/m1/s1 Image of MNXM326173
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:32][CH2:33][CH2:34][CH2:35][CH2:37][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][CH2:59][CH2:62][C:68](=[O:71])[O:74][CH2:65][C@@H:66]([CH2:64][O:73][C:67]([CH2:61][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:70])[O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:31]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[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:000283110
slm:000283110
NGJGIVKFBZMTQY-QKGYOSJESA-N
1-(9Z,12Z-octadecadienoyl)-2-(13Z-docosenoyl)-3-hexacosanoyl-sn-glycerol
TG(18:2(9Z,12Z)/22:1(13Z)/26:0)
Triacylglycerol (18:2(9Z,12Z)/22:1(13Z)/26:0)