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TG(63:9)

PropertiesImage
MNX_IDMNXM142366 Image of MNXM142366
referencechebi:189629
formulaC66H110O6
global charge0
mol weight999.6
InChIKeyVNPBOUSFGBJKQE-UHDDILLSSA-N
InChIInChI=1S/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,35,40,43,49,52,63H,4-6,8-9,11-15,17,20,22-24,31-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-33-,43-40-,52-49-/t63-/m1/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)CCCCCCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C66H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-35-38-40-43-46-49-52-55-58-64(67)70-61-63(72-66(69)60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-39-36-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,33,35,40,43,49,52,63H,4-6,8-9,11-15,17,20,22-24,31-32,34,36-39,41-42,44-48,50-51,53-62H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-33-,43-40-,52-49-/t63-/m1/s1 Image of MNXM142366
SMILES (mnx)[CH3:1][CH2:4]/[CH:7]=[CH:10]\[CH2:13]/[CH:16]=[CH:19]\[CH2:22]/[CH:25]=[CH:28]\[CH2:31]/[CH:33]=[CH:35]\[CH2:38]/[CH:40]=[CH:43]\[CH2:46]/[CH:49]=[CH:52]\[CH2:55][CH2:58][C:64](=[O:67])[O:70][CH2:61][C@H:63]([CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:39][CH2:36][CH2:34][CH2:32]/[CH:29]=[CH:26]\[CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:68])[O:72][C:66]([CH2:60][CH2:57][CH2:54][CH2:51][CH2:48][CH2:45][CH2:42][CH2:37]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:69]
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:189629
chebi:189629
VNPBOUSFGBJKQE-UHDDILLSSA-N 		TG(63:9)
[(2S)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-[(10Z,13Z)-nonadeca-10,13-dienoyl]oxypropyl] (Z)-docos-13-enoate
hmdb:HMDB0051712
VNPBOUSFGBJKQE-UHDDILLSSA-N 		TG(22:1(13Z)/19:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
(2S)-3-[(13Z)-docos-13-enoyloxy]-2-[(10Z,13Z)-nonadeca-10,13-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
1-(13Z-Docosenoyl)-2-(11Z,14Z-eicosadienoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol
1-Erucoyl-2-(10Z,13Z)-nonadecadienoyl-3-docosahexaenoyl-glycerol
1-Erucoyl-2-eicosadienoyl-3-docosahexaenoyl-glycerol
TAG(22:1/19:2/22:6)
TAG(22:1/19:2W6/22:6)
TAG(22:1/19:2n6/22:6)
TAG(63:9)
TG(22:1(13Z)/19:2(10Z,13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
TG(22:1/19:2/22:6)
TG(22:1/19:2W6/22:6)
TG(22:1/19:2n6/22:6)
TG(22:1W9/19:2W6/22:6W3)
TG(22:1n9/19:2n6/22:6n3)
TG(63:9)
Tag(22:1(13Z)/19:2(10Z,13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Tag(22:1W9/19:2W6/22:6W3)
Tag(22:1n9/19:2n6/22:6n3)
Triacylglycerol
Triacylglycerol(22:1(13Z)/19:2(10Z,13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Triacylglycerol(22:1/19:2/22:6)
Triacylglycerol(22:1/19:2W6/22:6)
Triacylglycerol(22:1/19:2n6/22:6)
Triacylglycerol(22:1W9/19:2W6/22:6W3)
Triacylglycerol(22:1n9/19:2n6/22:6n3)
Triacylglycerol(63:9)
Triglyceride

hmdb:HMDB51712 		secondary/obsolete/fantasy identifier