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1-heptadecanoyl-2-docosanoyl-3-(9Z-tetradecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM362345 Image of MNXM362345
referenceslm:000168138
formulaC56H106O6
global charge0
mol weight875.458
InChIKeyGVRKAHCPNHYYRH-CEMFKKKQSA-N
InChIInChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m0/s1
SMILESCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H106O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-30-32-35-38-41-44-47-50-56(59)62-53(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-31-25-23-20-17-14-11-8-5-2/h15,18,53H,4-14,16-17,19-52H2,1-3H3/b18-15-/t53-/m0/s1 Image of MNXM362345
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][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][C:56](=[O:59])[O:62][C@@H:53]([CH2:51][O:60][C:54]([CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:21]/[CH:18]=[CH:15]\[CH2:12][CH2:9][CH2:6][CH3:3])=[O:57])[CH2:52][O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]
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:000168138
slm:000168138
GVRKAHCPNHYYRH-CEMFKKKQSA-N
1-heptadecanoyl-2-docosanoyl-3-(9Z-tetradecenoyl)-sn-glycerol
TG(17:0/22:0/14:1(9Z))
Triacylglycerol (17:0/22:0/14:1(9Z))