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

PropertiesImage
MNX_IDMNXM346225 Image of MNXM346225
referenceslm:000183468
formulaC58H106O6
global charge0
mol weight899.48
InChIKeyWDSBRLTYWAHIFI-NJRFQGGASA-N
InChIInChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,55H,4-7,9-10,12-16,18-19,21-24,26,28-54H2,1-3H3/b11-8-,20-17-,27-25-/t55-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H106O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-32-34-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-35-33-30-27-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,27,55H,4-7,9-10,12-16,18-19,21-24,26,28-54H2,1-3H3/b11-8-,20-17-,27-25-/t55-/m0/s1 Image of MNXM346225
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:33][CH2:30]/[CH:27]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:61]
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:000183468
slm:000183468
WDSBRLTYWAHIFI-NJRFQGGASA-N
1-docosanoyl-2-(11Z,14Z,17Z-eicoastrienoyl)-3-tridecanoyl-sn-glycerol
TG(22:0/20:3(11Z,14Z,17Z)/13:0)
Triacylglycerol (22:0/20:3(11Z,14Z,17Z)/13:0)