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

PropertiesImage
MNX_IDMNXM110170 Image of MNXM110170
referenceslm:000164885
formulaC56H102O6
global charge0
mol weight871.426
InChIKeyWQADSUPBDNWBQM-UDHMGBOHSA-N
InChIInChI=1S/C56H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,53H,4-7,9-10,12-16,18-19,21-24,26-29,31-52H2,1-3H3/b11-8-,20-17-,30-25-/t53-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H102O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-32-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-33-30-25-23-20-17-14-11-8-5-2/h8,11,17,20,25,30,53H,4-7,9-10,12-16,18-19,21-24,26-29,31-52H2,1-3H3/b11-8-,20-17-,30-25-/t53-/m1/s1 Image of MNXM110170
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:24][CH2:26][CH2:27][CH2:28][CH2:29][CH2:31][CH2:32][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][C:55](=[O:58])[O:61][CH2:52][C@@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33]/[CH:30]=[CH:25]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:59]
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:000164885
slm:000164885
WQADSUPBDNWBQM-UDHMGBOHSA-N
1-tridecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-docosanoyl-sn-glycerol
TG(13:0/18:3(9Z,12Z,15Z)/22:0)
Triacylglycerol (13:0/18:3(9Z,12Z,15Z)/22:0)

lipidmaps:LMGL03013994
lipidmapsM:LMGL03013994
WQADSUPBDNWBQM-UDHMGBOHSA-N
TG(13:0/18:3(9Z,12Z,15Z)/22:0)[iso6]
1-tridecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-docosanoyl-sn-glycerol
TG 53:3
TG(13:0_18:3_22:0)
TG(53:3)