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1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-octadecenoyl)-3-tetradecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM131361 Image of MNXM131361
referenceslm:000154536
formulaC55H94O6
global charge0
mol weight851.351
InChIKeyPDKIUHZBFVKXFP-CDHHQXHCSA-N
InChIInChI=1S/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,36,39,52H,4-6,8-9,11-15,17-18,20-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H94O6/c1-4-7-10-13-16-19-22-24-26-27-29-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-25-23-20-17-14-11-8-5-2/h7,10,16,19,24-26,28-30,36,39,52H,4-6,8-9,11-15,17-18,20-23,27,31-35,37-38,40-51H2,1-3H3/b10-7-,19-16-,26-24-,28-25-,30-29-,39-36-/t52-/m0/s1 Image of MNXM131361
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:24]=[CH:26]\[CH2:27]/[CH:29]=[CH:30]\[CH2:33]/[CH:36]=[CH: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][CH2:21][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:25]\[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)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000154536
slm:000154536
PDKIUHZBFVKXFP-CDHHQXHCSA-N 		1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-octadecenoyl)-3-tetradecanoyl-sn-glycerol
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/14:0)
Triacylglycerol (20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/14:0)
hmdb:HMDB0042387
PDKIUHZBFVKXFP-CDHHQXHCSA-N 		TG(14:0/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
(2S)-2-[(9Z)-octadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
1-Myristoyl-2-oleoyl-3-eicosapentaenoyl-glycerol
1-Tetradecanoyl-2-(9Z-octadecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
TAG(14:0/18:1/20:5)
TAG(52:6)
TG(14:0/18:1/20:5)
TG(52:6)
Tracylglycerol(14:0/18:1/20:5)
Tracylglycerol(52:6)
Triacylglycerol
Triglyceride

hmdb:HMDB42387 		secondary/obsolete/fantasy identifier