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1-(11E-octadecenoyl)-2-hexacosanoyl-3-(11-methyldodecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM192436 Image of MNXM192436
referenceslm:000208613
formulaC60H114O6
global charge0
mol weight931.566
InChIKeyFCEQYJPLKPLZNL-GNAPGDEFSA-N
InChIInChI=1S/C60H114O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-40-45-49-53-60(63)66-57(55-65-59(62)52-48-44-41-37-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-33-31-29-20-18-16-14-12-10-8-6-2/h16,18,56-57H,5-15,17,19-55H2,1-4H3/b18-16+/t57-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H114O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-40-45-49-53-60(63)66-57(55-65-59(62)52-48-44-41-37-38-42-46-50-56(3)4)54-64-58(61)51-47-43-39-35-33-31-29-20-18-16-14-12-10-8-6-2/h16,18,56-57H,5-15,17,19-55H2,1-4H3/b18-16+/t57-/m1/s1 Image of MNXM192436
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:40][CH2:45][CH2:49][CH2:53][C:60](=[O:63])[O:66][C@H:57]([CH2:54][O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:33][CH2:31][CH2:29][CH2:20]/[CH:18]=[CH:16]/[CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:61])[CH2:55][O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:41][CH2:37][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:62]
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:000208613
slm:000208613
FCEQYJPLKPLZNL-GNAPGDEFSA-N
1-(11E-octadecenoyl)-2-hexacosanoyl-3-(11-methyldodecanoyl)-sn-glycerol
TG(18:1(11E)/26:0/13:0)
Triacylglycerol (18:1(11E)/26:0/13:0)