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1-heptadecanoyl-2-(13-methyltetradecanoyl)-3-(9Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM360341 Image of MNXM360341
referenceslm:000146360
formulaC53H100O6
global charge0
mol weight833.377
InChIKeyFOHNNAXGYVGRKX-QYUNGJCMSA-N
InChIInChI=1S/C53H100O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-52(55)58-48-50(59-53(56)46-42-38-34-30-26-27-31-35-39-43-49(3)4)47-57-51(54)44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-2/h19,21,49-50H,5-18,20,22-48H2,1-4H3/b21-19-/t50-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C53H100O6/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-37-41-45-52(55)58-48-50(59-53(56)46-42-38-34-30-26-27-31-35-39-43-49(3)4)47-57-51(54)44-40-36-32-28-24-22-20-18-16-14-12-10-8-6-2/h19,21,49-50H,5-18,20,22-48H2,1-4H3/b21-19-/t50-/m1/s1 Image of MNXM360341
SMILES (mnx)[CH3:1][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17]/[CH:19]=[CH:21]\[CH2:23][CH2:25][CH2:29][CH2:33][CH2:37][CH2:41][CH2:45][C:52](=[O:55])[O:58][CH2:48][C@@H:50]([CH2:47][O:57][C:51]([CH2:44][CH2:40][CH2:36][CH2:32][CH2:28][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:54])[O:59][C:53]([CH2:46][CH2:42][CH2:38][CH2:34][CH2:30][CH2:26][CH2:27][CH2:31][CH2:35][CH2:39][CH2:43][CH:49]([CH3:3])[CH3:4])=[O:56]
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:000146360
slm:000146360
FOHNNAXGYVGRKX-QYUNGJCMSA-N
1-heptadecanoyl-2-(13-methyltetradecanoyl)-3-(9Z-octadecenoyl)-sn-glycerol
TG(17:0/15:0/18:1(9Z))
Triacylglycerol (17:0/15:0/18:1(9Z))