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1-dodecanoyl-2-(13Z-docosenoyl)-3-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM350128 Image of MNXM350128
referenceslm:000212491
formulaC61H108O6
global charge0
mol weight937.529
InChIKeyORJQCWSTVWMNIC-REFJTNINSA-N
InChIInChI=1S/C61H108O6/c1-4-7-10-13-16-19-21-23-25-27-29-30-32-33-35-37-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-38-36-34-31-28-26-24-22-20-17-14-11-8-5-2/h16,19,23-26,29-30,33,35,58H,4-15,17-18,20-22,27-28,31-32,34,36-57H2,1-3H3/b19-16-,25-23-,26-24-,30-29-,35-33-/t58-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H108O6/c1-4-7-10-13-16-19-21-23-25-27-29-30-32-33-35-37-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-38-36-34-31-28-26-24-22-20-17-14-11-8-5-2/h16,19,23-26,29-30,33,35,58H,4-15,17-18,20-22,27-28,31-32,34,36-57H2,1-3H3/b19-16-,25-23-,26-24-,30-29-,35-33-/t58-/m1/s1 Image of MNXM350128
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:21]/[CH:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:33]=[CH:35]\[CH2:37][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][C:60](=[O:63])[O:66][CH2:57][C@@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:38][CH2:36][CH2:34][CH2:31][CH2:28]/[CH:26]=[CH:24]\[CH2:22][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64]
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:000212491
slm:000212491
ORJQCWSTVWMNIC-REFJTNINSA-N
1-dodecanoyl-2-(13Z-docosenoyl)-3-(9Z,12Z,15Z,18Z-tetracosatetraenoyl)-sn-glycerol
TG(12:0/22:1(13Z)/24:4(9Z,12Z,15Z,18Z))
Triacylglycerol (12:0/22:1(13Z)/24:4(9Z,12Z,15Z,18Z))