Search MNXref
 Feedback

1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-hexadecenoyl)-3-eicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM138297 Image of MNXM138297
referenceslm:000209543
formulaC61H104O6
global charge0
mol weight933.497
InChIKeyWVSHJVMVJAZQMY-OGHKSILLSA-N
InChIInChI=1S/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-37-,48-45-/t58-/m0/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)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C61H104O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,27,30,32,37,39,45,48,58H,4-6,8-9,11-15,17-18,20,22-23,26,28-29,31,33-36,38,40-44,46-47,49-57H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,32-30-,39-37-,48-45-/t58-/m0/s1 Image of MNXM138297
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:27]\[CH2:29]/[CH:30]=[CH:32]\[CH2:34]/[CH:37]=[CH:39]\[CH2:42]/[CH:45]=[CH: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][CH2:36][CH2:33][CH2:31][CH2:28][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:62])[O:67][C:61]([CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:35]/[CH:24]=[CH:21]\[CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[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:000209543
slm:000209543
WVSHJVMVJAZQMY-OGHKSILLSA-N 		1-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-2-(9Z-hexadecenoyl)-3-eicosanoyl-sn-glycerol
TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/20:0)
Triacylglycerol (22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/20:0)
hmdb:HMDB0045709
WVSHJVMVJAZQMY-OGHKSILLSA-N 		TG(20:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-Arachidonyl-2-palmitoleoyl-3-docosahexaenoyl-glycerol
1-Eicosanoyl-2-(9Z-hexadecenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
TAG(20:0/16:1/22:6)
TAG(58:7)
TG(20:0/16:1/22:6)
TG(58:7)
Tracylglycerol(20:0/16:1/22:6)
Tracylglycerol(58:7)
Triacylglycerol
Triglyceride

hmdb:HMDB45709 		secondary/obsolete/fantasy identifier