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1-docosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-nonadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM347910 Image of MNXM347910
referenceslm:000245877
formulaC64H118O6
global charge0
mol weight983.642
InChIKeyWERAZYDXKGDAIX-ITKBAAINSA-N
InChIInChI=1S/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,61H,4-16,18-19,21-25,27-28,30-36,38-39,41-60H2,1-3H3/b20-17-,29-26-,40-37-/t61-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C64H118O6/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(66)69-60-61(59-68-62(65)56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)70-64(67)58-55-52-49-46-43-40-37-33-29-26-23-20-17-14-11-8-5-2/h17,20,26,29,37,40,61H,4-16,18-19,21-25,27-28,30-36,38-39,41-60H2,1-3H3/b20-17-,29-26-,40-37-/t61-/m0/s1 Image of MNXM347910
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:63](=[O:66])[O:69][CH2:60][C@H:61]([CH2:59][O:68][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:65])[O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43]/[CH:40]=[CH:37]\[CH2:33]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:67]
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:000245877
slm:000245877
WERAZYDXKGDAIX-ITKBAAINSA-N
1-docosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-nonadecanoyl-sn-glycerol
TG(22:0/20:3(8Z,11Z,14Z)/19:0)
Triacylglycerol (22:0/20:3(8Z,11Z,14Z)/19:0)