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1-(10Z,13Z,16Z-docosatrienoyl)-2-(11-methyldodecanoyl)-3-(9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM181944 Image of MNXM181944
referenceslm:000217267
formulaC62H104O6
global charge0
mol weight945.508
InChIKeyJUSXTEOZMDQOML-LIPFXKIJSA-N
InChIInChI=1S/C62H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-42-46-50-54-61(64)67-57-59(68-62(65)55-51-47-43-39-40-44-48-52-58(3)4)56-66-60(63)53-49-45-41-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-27,29-30,32,58-59H,5-6,8,10-12,17-18,23-24,28,31,33-57H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-,26-25-,29-27-,32-30-/t59-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C62H104O6/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-42-46-50-54-61(64)67-57-59(68-62(65)55-51-47-43-39-40-44-48-52-58(3)4)56-66-60(63)53-49-45-41-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-2/h7,9,13-16,19-22,25-27,29-30,32,58-59H,5-6,8,10-12,17-18,23-24,28,31,33-57H2,1-4H3/b9-7-,15-13-,16-14-,21-19-,22-20-,26-25-,29-27-,32-30-/t59-/m1/s1 Image of MNXM181944
SMILES (mnx)[CH3:1][CH2:5]/[CH:7]=[CH:9]\[CH2:11]/[CH:13]=[CH:15]\[CH2:17]/[CH:19]=[CH:21]\[CH2:23]/[CH:25]=[CH:26]\[CH2:28]/[CH:30]=[CH:32]\[CH2:34][CH2:36][CH2:38][CH2:42][CH2:46][CH2:50][CH2:54][C:61](=[O:64])[O:67][CH2:57][C@@H:59]([CH2:56][O:66][C:60]([CH2:53][CH2:49][CH2:45][CH2:41][CH2:37][CH2:35][CH2:33][CH2:31]/[CH:29]=[CH:27]\[CH2:24]/[CH:22]=[CH:20]\[CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH3:2])=[O:63])[O:68][C:62]([CH2:55][CH2:51][CH2:47][CH2:43][CH2:39][CH2:40][CH2:44][CH2:48][CH2:52][CH:58]([CH3:3])[CH3:4])=[O:65]
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:000217267
slm:000217267
JUSXTEOZMDQOML-LIPFXKIJSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-(11-methyldodecanoyl)-3-(9Z,12Z,15Z,18Z,21Z-tetracosapentaenoyl)-sn-glycerol
TG(22:3(10Z,13Z,16Z)/13:0/24:5(9Z,12Z,15Z,18Z,21Z))
Triacylglycerol (22:3(10Z,13Z,16Z)/13:0/24:5(9Z,12Z,15Z,18Z,21Z))