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1-docosanoyl-2-(13-methyltetradecanoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM346471 Image of MNXM346471
referenceslm:000183680
formulaC58H106O6
global charge0
mol weight899.48
InChIKeyMODXMZGBXGVMLN-WQFFZLADSA-N
InChIInChI=1S/C58H106O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-34-38-42-46-50-57(60)63-53-55(64-58(61)51-47-43-39-35-31-32-36-40-44-48-54(3)4)52-62-56(59)49-45-41-37-33-29-27-25-20-18-16-14-12-10-8-6-2/h8,10,14,16,20,25,54-55H,5-7,9,11-13,15,17-19,21-24,26-53H2,1-4H3/b10-8-,16-14-,25-20-/t55-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C58H106O6/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-34-38-42-46-50-57(60)63-53-55(64-58(61)51-47-43-39-35-31-32-36-40-44-48-54(3)4)52-62-56(59)49-45-41-37-33-29-27-25-20-18-16-14-12-10-8-6-2/h8,10,14,16,20,25,54-55H,5-7,9,11-13,15,17-19,21-24,26-53H2,1-4H3/b10-8-,16-14-,25-20-/t55-/m0/s1 Image of MNXM346471
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][CH2:26][CH2:28][CH2:30][CH2:34][CH2:38][CH2:42][CH2:46][CH2:50][C:57](=[O:60])[O:63][CH2:53][C@H:55]([CH2:52][O:62][C:56]([CH2:49][CH2:45][CH2:41][CH2:37][CH2:33][CH2:29][CH2:27]/[CH:25]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12]/[CH:10]=[CH:8]\[CH2:6][CH3:2])=[O:59])[O:64][C:58]([CH2:51][CH2:47][CH2:43][CH2:39][CH2:35][CH2:31][CH2:32][CH2:36][CH2:40][CH2:44][CH2:48][CH:54]([CH3:3])[CH3:4])=[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:000183680
slm:000183680
MODXMZGBXGVMLN-WQFFZLADSA-N
1-docosanoyl-2-(13-methyltetradecanoyl)-3-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycerol
TG(22:0/15:0/18:3(9Z,12Z,15Z))
Triacylglycerol (22:0/15:0/18:3(9Z,12Z,15Z))