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1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(11Z-eicosenoyl)-3-(11Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM136053 Image of MNXM136053
referenceslm:000209474
formulaC61H104O6
global charge0
mol weight933.497
InChIKeyJVHJUJLLSIEMCN-TURLLROSSA-N
InChIInChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C61H104O6/c1-4-7-10-13-16-19-22-25-28-30-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-32-27-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-26,28-29,33,36,42,45,58H,4-6,8-9,11-15,17-18,20,22-23,27,30-32,34-35,37-41,43-44,46-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,29-26-,36-33-,45-42-/t58-/m0/s1 Image of MNXM136053
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:30]/[CH:33]=[CH:36]\[CH2:39]/[CH:42]=[CH: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][CH2:38][CH2:35][CH2:32][CH2:27]/[CH:24]=[CH:21]\[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][CH2:37][CH2:34][CH2:31]/[CH:29]=[CH:26]\[CH2:23][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:000209474
slm:000209474
JVHJUJLLSIEMCN-TURLLROSSA-N
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(11Z-eicosenoyl)-3-(11Z-octadecenoyl)-sn-glycerol
TG(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/18:1(11Z))
Triacylglycerol (20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)/18:1(11Z))
hmdb:HMDB0049320
JVHJUJLLSIEMCN-TURLLROSSA-N
TG(18:1(11Z)/20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
(2S)-2-[(11Z)-icos-11-enoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-(11Z-octadecenoyl)-2-(11-eicosenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-vaccenoyl-2-eicosenoyl-3-eicosapentaenoyl-glycerol
TAG(18:1/20:1/20:5)
TAG(58:7)
TG(18:1/20:1/20:5)
TG(58:7)
Tracylglycerol(18:1/20:1/20:5)
Tracylglycerol(58:7)
Triacylglycerol
Triglyceride

hmdb:HMDB49320
secondary/obsolete/fantasy identifier