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TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

PropertiesImage
MNX_IDMNXM142241 Image of MNXM142241
referencechebi:172173
formulaC63H108O6
global charge0
mol weight961.551
InChIKeyFFDMAFKNMIQJTB-XULQZTQMSA-N
InChIInChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-29,34-35,37,43,46,60H,4-7,9-10,12-16,18-19,21-24,30-33,36,38-42,44-45,47-59H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,34-27-,37-35-,46-43-/t60-/m1/s1 Image of MNXM142241
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:30][CH2:31][CH2:33][CH2:36][CH2:38][CH2:41][CH2:44][CH2:47][CH2:50][CH2:53][CH2:56][C:62](=[O:65])[O:68][CH2:59][C@@H:60]([CH2:58][O:67][C:61]([CH2:55][CH2:52][CH2:49]/[CH:46]=[CH:43]\[CH2:40]/[CH:37]=[CH:35]\[CH2:32]/[CH:29]=[CH:26]\[CH2:23]/[CH:20]=[CH:17]\[CH2:14]/[CH:11]=[CH:8]\[CH2:5][CH3:2])=[O:64])[O:69][C:63]([CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:39]/[CH:34]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:66]
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

CHEBI:172173
chebi:172173
FFDMAFKNMIQJTB-XULQZTQMSA-N 		TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
[(2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate

SLM:000230777
slm:000230777
FFDMAFKNMIQJTB-XULQZTQMSA-N 		1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(9Z-octadecenoyl)-3-(13Z-docosenoyl)-sn-glycerol
TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:1(13Z))
Triacylglycerol (20:5(5Z,8Z,11Z,14Z,17Z)/18:1(9Z)/22:1(13Z))
hmdb:HMDB0051591
FFDMAFKNMIQJTB-XULQZTQMSA-N 		TG(22:1(13Z)/18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
(2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (13Z)-docos-13-enoate
1-(13Z-Docosenoyl)-2-(9Z-octadecenoyl)-3-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol
1-Erucoyl-2-oleoyl-3-eicosapentaenoyl-glycerol
TAG(22:1/18:1/20:5)
TAG(60:7)
TG(22:1/18:1/20:5)
TG(60:7)
Tracylglycerol(22:1/18:1/20:5)
Tracylglycerol(60:7)
Triacylglycerol
Triglyceride

hmdb:HMDB51591 		secondary/obsolete/fantasy identifier