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1-heneicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-eicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM357530 Image of MNXM357530
referenceslm:000242357
formulaC64H114O6
global charge0
mol weight979.61
InChIKeyPNFGCYBNSPOHFZ-NEDNIMAWSA-N
InChIInChI=1S/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,40,46,49,61H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-39,41-45,47-48,50-60H2,1-3H3/b12-9-,21-18-,30-27-,40-37-,49-46-/t61-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C64H114O6/c1-4-7-10-13-16-19-22-25-28-31-34-36-39-42-45-48-51-54-57-63(66)69-60-61(70-64(67)58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,40,46,49,61H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-39,41-45,47-48,50-60H2,1-3H3/b12-9-,21-18-,30-27-,40-37-,49-46-/t61-/m0/s1 Image of MNXM357530
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][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][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:65])[O:70][C:64]([CH2:58][CH2:55][CH2:52]/[CH:49]=[CH:46]\[CH2:43]/[CH:40]=[CH:37]\[CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[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:000242357
slm:000242357
PNFGCYBNSPOHFZ-NEDNIMAWSA-N
1-heneicosanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-eicosanoyl-sn-glycerol
TG(21:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)
Triacylglycerol (21:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:0)