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1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(13Z-docosenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM143479 Image of MNXM143479
referenceslm:000274640
formulaC69H110O6
global charge0
mol weight1035.633
InChIKeyBKQDLAWUVQPUJW-UDRRZJJGSA-N
InChIInChI=1S/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/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)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C69H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-30,34-35,37-38,43-44,46-47,52,55,66H,4-6,9,12-15,18,21-24,31-33,36,39-42,45,48-51,53-54,56-65H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,30-27-,37-34-,38-35-,46-43-,47-44-,55-52-/t66-/m1/s1 Image of MNXM143479
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:34]=[CH:37]\[CH2:40]/[CH:43]=[CH:46]\[CH2:49]/[CH:52]=[CH:55]\[CH2:58][CH2:61][C:67](=[O:70])[O:73][CH2:64][C@H:66]([CH2:65][O:74][C:68]([CH2:62][CH2:59][CH2:56][CH2:53][CH2:50]/[CH:47]=[CH:44]\[CH2:41]/[CH:38]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:71])[O:75][C:69]([CH2:63][CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:72]
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:000274640
slm:000274640
BKQDLAWUVQPUJW-UDRRZJJGSA-N 		1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(13Z-docosenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:5(7Z,10Z,13Z,16Z,19Z))
hmdb:HMDB0055844
BKQDLAWUVQPUJW-UDRRZJJGSA-N 		TG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-2-[(13Z)-docos-13-enoyloxy]-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(7Z,10Z,13Z,16Z,19Z-Docosapentaenoyl)-2-(13Z-docosenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
1-Docosapentaenoyl-2-erucoyl-3-docosahexaenoyl-glycerol
TAG(22:5/22:1/22:6)
TAG(66:12)
TG(22:5/22:1/22:6)
TG(66:12)
Tracylglycerol(22:5/22:1/22:6)
Tracylglycerol(66:12)
Triacylglycerol
Triglyceride

hmdb:HMDB55844 		secondary/obsolete/fantasy identifier