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1-(10Z,13Z,16Z-docosatrienoyl)-2-(9Z-tetradecenoyl)-3-dodecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM184497 Image of MNXM184497
referenceslm:000135674
formulaC51H90O6
global charge0
mol weight799.275
InChIKeyOXDKJZXJDXGBSB-QCLJCAQHSA-N
InChIInChI=1S/C51H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-20-17-14-11-8-5-2/h14,16-17,19,22-23,25-26,48H,4-13,15,18,20-21,24,27-47H2,1-3H3/b17-14-,19-16-,23-22-,26-25-/t48-/m0/s1
SMILESCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H90O6/c1-4-7-10-13-16-19-21-22-23-24-25-26-27-28-30-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-18-15-12-9-6-3)57-51(54)45-42-39-36-33-29-20-17-14-11-8-5-2/h14,16-17,19,22-23,25-26,48H,4-13,15,18,20-21,24,27-47H2,1-3H3/b17-14-,19-16-,23-22-,26-25-/t48-/m0/s1 Image of MNXM184497
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:30][CH2:32][CH2:35][CH2:38][CH2:41][CH2:44][C:50](=[O:53])[O:56][CH2:47][C@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[O:57][C:51]([CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:29][CH2:20]/[CH:17]=[CH:14]\[CH2:11][CH2:8][CH2:5][CH3:2])=[O:54]
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:000135674
slm:000135674
OXDKJZXJDXGBSB-QCLJCAQHSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-(9Z-tetradecenoyl)-3-dodecanoyl-sn-glycerol
TG(22:3(10Z,13Z,16Z)/14:1(9Z)/12:0)
Triacylglycerol (22:3(10Z,13Z,16Z)/14:1(9Z)/12:0)