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1-docosanoyl-2-(9Z-octadecenoyl)-3-heptadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM348390 Image of MNXM348390
referenceslm:000208434
formulaC60H114O6
global charge0
mol weight931.566
InChIKeyYTMOXHKTIYDDOG-CQMSUXMMSA-N
InChIInChI=1S/C60H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h26,32,57H,4-25,27-31,33-56H2,1-3H3/b32-26-/t57-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H114O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-33-35-38-41-44-47-50-53-59(62)65-56-57(55-64-58(61)52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)66-60(63)54-51-48-45-42-39-36-32-26-23-20-17-14-11-8-5-2/h26,32,57H,4-25,27-31,33-56H2,1-3H3/b32-26-/t57-/m0/s1 Image of MNXM348390
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:29][CH2:30][CH2:31][CH2:33][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][C:59](=[O:62])[O:65][CH2:56][C@H:57]([CH2:55][O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:61])[O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36]/[CH:32]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:63]
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:000208434
slm:000208434
YTMOXHKTIYDDOG-CQMSUXMMSA-N
1-docosanoyl-2-(9Z-octadecenoyl)-3-heptadecanoyl-sn-glycerol
TG(22:0/18:1(9Z)/17:0)
Triacylglycerol (22:0/18:1(9Z)/17:0)