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1,2-diheneicosanoyl-3-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM176781 Image of MNXM176781
referenceslm:000254801
formulaC65H120O6
global charge0
mol weight997.669
InChIKeyWJGWYPQCSLBVSJ-NPBZQPRASA-N
InChIInChI=1S/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,62H,4-8,10-11,13-17,19-20,22-26,28-29,31-61H2,1-3H3/b12-9-,21-18-,30-27-/t62-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C65H120O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,62H,4-8,10-11,13-17,19-20,22-26,28-29,31-61H2,1-3H3/b12-9-,21-18-,30-27-/t62-/m0/s1 Image of MNXM176781
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][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][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][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH: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][CH2:32][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:000254801
slm:000254801
WJGWYPQCSLBVSJ-NPBZQPRASA-N
1,2-diheneicosanoyl-3-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycerol
TG(21:0/21:0/20:3(11Z,14Z,17Z))
Triacylglycerol (21:0/21:0/20:3(11Z,14Z,17Z))