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1-hexadecanoyl-2-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM133746 Image of MNXM133746
referencechebi:77623
formulaC55H104O6
global charge0
mol weight861.431
InChIKeyQXPXMOHHFYONAC-FEKLXSIDSA-N
InChIInChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-/t52-/m1/s1
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-/t52-/m1/s1 Image of MNXM133746
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:27][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][C:54](=[O:57])[O:60][CH2:51][C@@H:52]([CH2:50][O:59][C:53]([CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:56])[O:61][C:55]([CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34][CH2:31]/[CH:28]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77623
chebi:77623
QXPXMOHHFYONAC-FEKLXSIDSA-N 		1-hexadecanoyl-2-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerol
1-(hexadecanyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-(palmitoyloxy)-3-(stearoyloxy)propan-2-yl (9Z)-octadec-9-enoate
1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoylglycerol
1-Palmitoyl-2-oleoyl-3-stearoylglycerol
1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol
Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate
TAG(52:1)
TG(16:0/18:1(9Z)/18:0)
TG(16:0/18:1/18:0)
TG(52:1)
Triacylglycerol(16:0/18:1/18:0)
Triacylglycerol(52:1)

SLM:000159783
slm:000159783
QXPXMOHHFYONAC-FEKLXSIDSA-N 		1-hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoyl-sn-glycerol
TG(16:0/18:1(9Z)/18:0)
Triacylglycerol (16:0/18:1(9Z)/18:0)

bigg.metabolite:tag1601819Z180
biggM:tag1601819Z180
seed.compound:cpd30570
seedM:cpd30570 		Triacylglycerol (16:0/18:1(9Z)/18:0)

biggM:M_tag1601819Z180
seedM:M_cpd30570 		secondary/obsolete/fantasy identifier