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1-(10Z,13Z,16Z-docosatrienoyl)-2-(13-methyltetradecanoyl)-3-(6Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM182384 Image of MNXM182384
referenceslm:000181780
formulaC58H104O6
global charge0
mol weight897.464
InChIKeyJVVWZPOGEZBPAF-FDDSZTLXSA-N
InChIInChI=1S/C58H104O6/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/h13,15,19,21,23-24,29,33,54-55H,5-12,14,16-18,20,22,25-28,30-32,34-53H2,1-4H3/b15-13-,21-19-,24-23-,33-29-/t55-/m0/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C58H104O6/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/h13,15,19,21,23-24,29,33,54-55H,5-12,14,16-18,20,22,25-28,30-32,34-53H2,1-4H3/b15-13-,21-19-,24-23-,33-29-/t55-/m0/s1 Image of MNXM182384
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:22]/[CH:23]=[CH: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]/[CH:33]=[CH:29]\[CH2:27][CH2:25][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][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:000181780
slm:000181780
JVVWZPOGEZBPAF-FDDSZTLXSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-(13-methyltetradecanoyl)-3-(6Z-octadecenoyl)-sn-glycerol
TG(22:3(10Z,13Z,16Z)/15:0/18:1(6Z))
Triacylglycerol (22:3(10Z,13Z,16Z)/15:0/18:1(6Z))