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1-(13Z-docosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM138448 Image of MNXM138448
referenceslm:000235201
formulaC63H114O6
global charge0
mol weight967.599
InChIKeyDKUNFLKMWAUNDY-XLDBSBOMSA-N
InChIInChI=1S/C63H114O6/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/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-/t60-/m0/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C63H114O6/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/h9,12,18,21,25,27-28,34,60H,4-8,10-11,13-17,19-20,22-24,26,29-33,35-59H2,1-3H3/b12-9-,21-18-,28-25-,34-27-/t60-/m0/s1 Image of MNXM138448
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][CH2:46][CH2:43][CH2:40][CH2:37][CH2:35][CH2:32][CH2:29][CH2:26][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][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]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH: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

SLM:000235201
slm:000235201
DKUNFLKMWAUNDY-XLDBSBOMSA-N 		1-(13Z-docosenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-3-eicosanoyl-sn-glycerol
TG(22:1(13Z)/18:3(9Z,12Z,15Z)/20:0)
Triacylglycerol (22:1(13Z)/18:3(9Z,12Z,15Z)/20:0)
hmdb:HMDB0046084
DKUNFLKMWAUNDY-XLDBSBOMSA-N 		TG(20:0/18:3(9Z,12Z,15Z)/22:1(13Z))
(2S)-3-(icosanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (13Z)-docos-13-enoate
1-Arachidonyl-2-a-linolenoyl-3-erucoyl-glycerol
1-Eicosanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(13Z-docosenoyl)-glycerol
TAG(20:0/18:3/22:1)
TAG(60:4)
TG(20:0/18:3/22:1)
TG(60:4)
Tracylglycerol(20:0/18:3/22:1)
Tracylglycerol(60:4)
Triacylglycerol
Triglyceride

hmdb:HMDB46084 		secondary/obsolete/fantasy identifier