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1-(10Z,13Z,16Z-docosatrienoyl)-2-eicosanoyl-3-(13-methyltetradecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM184704 Image of MNXM184704
referenceslm:000204149
formulaC60H110O6
global charge0
mol weight927.534
InChIKeyFVLSVCUHEZAGSW-GYNIYHSUSA-N
InChIInChI=1S/C60H110O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-35-39-43-47-51-58(61)64-54-57(55-65-59(62)52-48-44-40-37-33-34-38-42-46-50-56(3)4)66-60(63)53-49-45-41-36-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,24,26,56-57H,5-12,14,16-18,20,22-23,25,27-55H2,1-4H3/b15-13-,21-19-,26-24-/t57-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C60H110O6/c1-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-35-39-43-47-51-58(61)64-54-57(55-65-59(62)52-48-44-40-37-33-34-38-42-46-50-56(3)4)66-60(63)53-49-45-41-36-32-30-28-25-22-20-18-16-14-12-10-8-6-2/h13,15,19,21,24,26,56-57H,5-12,14,16-18,20,22-23,25,27-55H2,1-4H3/b15-13-,21-19-,26-24-/t57-/m1/s1 Image of MNXM184704
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:24]=[CH:26]\[CH2:27][CH2:29][CH2:31][CH2:35][CH2:39][CH2:43][CH2:47][CH2:51][C:58](=[O:61])[O:64][CH2:54][C@H:57]([CH2:55][O:65][C:59]([CH2:52][CH2:48][CH2:44][CH2:40][CH2:37][CH2:33][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][CH:56]([CH3:3])[CH3:4])=[O:62])[O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:36][CH2:32][CH2:30][CH2:28][CH2:25][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][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:000204149
slm:000204149
FVLSVCUHEZAGSW-GYNIYHSUSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-eicosanoyl-3-(13-methyltetradecanoyl)-sn-glycerol
TG(22:3(10Z,13Z,16Z)/20:0/15:0)
Triacylglycerol (22:3(10Z,13Z,16Z)/20:0/15:0)