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1-heptadecanoyl-2-(9Z,12Z-hexadecadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM362024 Image of MNXM362024
referenceslm:000176097
formulaC58H96O6
global charge0
mol weight889.4
InChIKeyDJTZKGAOWBUQDW-OBERBLPUSA-N
InChIInChI=1S/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h7,10,12,15-16,19,21,24-25,27,29-30,34,36,42,45,55H,4-6,8-9,11,13-14,17-18,20,22-23,26,28,31-33,35,37-41,43-44,46-54H2,1-3H3/b10-7-,15-12-,19-16-,24-21-,27-25-,30-29-,36-34-,45-42-/t55-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCC
MNX internals
InChI (mnx)InChI=1/C58H96O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-34-36-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-37-32-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-33-26-23-20-17-14-11-8-5-2/h7,10,12,15-16,19,21,24-25,27,29-30,34,36,42,45,55H,4-6,8-9,11,13-14,17-18,20,22-23,26,28,31-33,35,37-41,43-44,46-54H2,1-3H3/b10-7-,15-12-,19-16-,24-21-,27-25-,30-29-,36-34-,45-42-/t55-/m1/s1 Image of MNXM362024
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:34]=[CH:36]\[CH2:39]/[CH:42]=[CH:45]\[CH2:48][CH2:51][C:57](=[O:60])[O:63][CH2:54][C@@H:55]([CH2:53][O:62][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:59])[O:64][C:58]([CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:32]/[CH:24]=[CH:21]\[CH2:18]/[CH:15]=[CH:12]\[CH2:9][CH2:6][CH3:3])=[O:61]
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:000176097
slm:000176097
DJTZKGAOWBUQDW-OBERBLPUSA-N
1-heptadecanoyl-2-(9Z,12Z-hexadecadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol
TG(17:0/16:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Triacylglycerol (17:0/16:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))