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TG(20:0/O-18:0/22:1(13Z))

PropertiesImage
MNX_IDMNXM138936 Image of MNXM138936
referencehmdb:HMDB0046240
formulaC63H122O5
global charge0
mol weight959.664
InChIKeyZIDPGXBTSKOGRO-SBOILKGHSA-N
InChIInChI=1S/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H122O5/c1-4-7-10-13-16-19-22-25-28-31-32-34-36-39-42-45-48-51-54-57-63(65)68-60-61(66-58-55-52-49-46-43-40-37-30-27-24-21-18-15-12-9-6-3)59-67-62(64)56-53-50-47-44-41-38-35-33-29-26-23-20-17-14-11-8-5-2/h25,28,61H,4-24,26-27,29-60H2,1-3H3/b28-25-/t61-/m0/s1 Image of MNXM138936
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:32][CH2:34][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][C:63](=[O:65])[O:68][CH2:60][C@H:61]([CH2:59][O:67][C:62]([CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:33][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:64])[O:66][CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:30][CH2:27][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3]
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
hmdb:HMDB0046240
ZIDPGXBTSKOGRO-SBOILKGHSA-N
TG(20:0/O-18:0/22:1(13Z))
(2S)-3-(Icosanoyloxy)-2-(octadecyloxy)propyl (13Z)-docos-13-enoic acid
(2S)-3-(icosanoyloxy)-2-(octadecyloxy)propyl (13Z)-docos-13-enoate
1-Arachidonyl-2-stearyl-3-erucoyl-glycerol
1-Eicosanoyl-2-octadecanyl-3-(13Z-docosenoyl)-glycerol
TAG(20:0/18:0/22:1)
TAG(60:1)
TG(20:0/18:0/22:1)
TG(20:0/o-18:0/22:1(13Z))
TG(60:1)
Tracylglycerol(20:0/18:0/22:1)
Tracylglycerol(60:1)
Triacylglycerol
Triglyceride

hmdb:HMDB46240
secondary/obsolete/fantasy identifier