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1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(11Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM136256 Image of MNXM136256
referenceslm:000205247
formulaC61H100O6
global charge0
mol weight929.465
InChIKeyPJBNBEGPHDNRHL-IKQXGANFSA-N
InChIInChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h8,11,16-17,19-21,24-26,28,30-32,37-38,40-41,58H,4-7,9-10,12-15,18,22-23,27,29,33-36,39,42-57H2,1-3H3/b11-8-,19-16-,20-17-,24-21-,28-25-,31-30-,32-26-,40-37-,41-38-/t58-/m1/s1 Image of MNXM136256
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:29]/[CH:30]=[CH:31]\[CH2:34]/[CH:37]=[CH:40]\[CH2:43][CH2:46][CH2:49][CH2:52][CH2:55][C:61](=[O:64])[O:67][C@H:58]([CH2:56][O:65][C:59]([CH2:53][CH2:50][CH2:47][CH2:44]/[CH:41]=[CH:38]\[CH2:35]/[CH:32]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:62])[CH2:57][O:66][C:60]([CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33][CH2:27]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:63]
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:000205247
slm:000205247
PJBNBEGPHDNRHL-IKQXGANFSA-N
1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(11Z-octadecenoyl)-sn-glycerol
TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
Triacylglycerol (18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/18:1(11Z))
hmdb:HMDB0049528
PJBNBEGPHDNRHL-IKQXGANFSA-N
TG(18:1(11Z)/22:4(7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
(2S)-1-[(11Z)-octadec-11-enoyloxy]-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
1-(11Z-Octadecenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol
1-Vaccenoyl-2-adrenoyl-3-stearidonoyl-glycerol
TAG(18:1/22:4/18:4)
TAG(58:9)
TG(18:1/22:4/18:4)
TG(58:9)
Tracylglycerol(18:1/22:4/18:4)
Tracylglycerol(58:9)
Triacylglycerol
Triglyceride

hmdb:HMDB49528
secondary/obsolete/fantasy identifier