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1-(9Z-hexadecenoyl)-2-(13-methyltetradecanoyl)-3-dodecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM329310 Image of MNXM329310
referenceslm:000127113
formulaC46H86O6
global charge0
mol weight735.188
InChIKeyJDYXEVCRKLQJND-IXLQFSIZSA-N
InChIInChI=1S/C46H86O6/c1-5-7-9-11-13-15-16-17-18-22-26-30-34-38-45(48)51-41-43(40-50-44(47)37-33-29-25-20-14-12-10-8-6-2)52-46(49)39-35-31-27-23-19-21-24-28-32-36-42(3)4/h15-16,42-43H,5-14,17-41H2,1-4H3/b16-15-/t43-/m0/s1
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C46H86O6/c1-5-7-9-11-13-15-16-17-18-22-26-30-34-38-45(48)51-41-43(40-50-44(47)37-33-29-25-20-14-12-10-8-6-2)52-46(49)39-35-31-27-23-19-21-24-28-32-36-42(3)4/h15-16,42-43H,5-14,17-41H2,1-4H3/b16-15-/t43-/m0/s1 Image of MNXM329310
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:16]\[CH2:17][CH2:18][CH2:22][CH2:26][CH2:30][CH2:34][CH2:38][C:45](=[O:48])[O:51][CH2:41][C@H:43]([CH2:40][O:50][C:44]([CH2:37][CH2:33][CH2:29][CH2:25][CH2:20][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:47])[O:52][C:46]([CH2:39][CH2:35][CH2:31][CH2:27][CH2:23][CH2:19][CH2:21][CH2:24][CH2:28][CH2:32][CH2:36][CH:42]([CH3:3])[CH3:4])=[O:49]
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:000127113
slm:000127113
JDYXEVCRKLQJND-IXLQFSIZSA-N
1-(9Z-hexadecenoyl)-2-(13-methyltetradecanoyl)-3-dodecanoyl-sn-glycerol
TG(16:1(9Z)/15:0/12:0)
Triacylglycerol (16:1(9Z)/15:0/12:0)