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1-docosanoyl-2-(11Z-eicosenoyl)-3-(6Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM346319 Image of MNXM346319
referenceslm:000237379
formulaC63H118O6
global charge0
mol weight971.631
InChIKeyFOGRFNVZPVAUSA-LOSJGENZSA-N
InChIInChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,40,43,60H,4-25,27-28,30-39,41-42,44-59H2,1-3H3/b29-26-,43-40-/t60-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H118O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h26,29,40,43,60H,4-25,27-28,30-39,41-42,44-59H2,1-3H3/b29-26-,43-40-/t60-/m0/s1 Image of MNXM346319
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46]/[CH:43]=[CH:40]\[CH2:37][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:66]
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:000237379
slm:000237379
FOGRFNVZPVAUSA-LOSJGENZSA-N
1-docosanoyl-2-(11Z-eicosenoyl)-3-(6Z-octadecenoyl)-sn-glycerol
TG(22:0/20:1(11Z)/18:1(6Z))
Triacylglycerol (22:0/20:1(11Z)/18:1(6Z))