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1-(9Z,12Z-octadecadienoyl)-2-octadecanoyl-3-heptadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM328396 Image of MNXM328396
referenceslm:000166515
formulaC56H104O6
global charge0
mol weight873.442
InChIKeyXFBQQSLGCORCGH-XQKYWHDJSA-N
InChIInChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,53H,4-15,17-18,20-24,26-27,29-52H2,1-3H3/b19-16-,28-25-/t53-/m0/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-53(51-60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16,19,25,28,53H,4-15,17-18,20-24,26-27,29-52H2,1-3H3/b19-16-,28-25-/t53-/m0/s1 Image of MNXM328396
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31][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][CH2:33][CH2:30][CH2:27][CH2:24][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][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][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:000166515
slm:000166515
XFBQQSLGCORCGH-XQKYWHDJSA-N
1-(9Z,12Z-octadecadienoyl)-2-octadecanoyl-3-heptadecanoyl-sn-glycerol
TG(18:2(9Z,12Z)/18:0/17:0)
Triacylglycerol (18:2(9Z,12Z)/18:0/17:0)