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1-O-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-(11Z-octadecenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM135998 Image of MNXM135998
referenceslm:000164546
formulaC57H104O5
global charge0
mol weight869.454
InChIKeyRZDWVTRPHNHEBJ-PCSQJDSHSA-N
InChIInChI=1S/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,30,55H,4-8,10-11,13-17,19,22,24-26,28-29,31-54H2,1-3H3/b12-9-,21-18-,23-20-,30-27-/t55-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C57H104O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,20-21,23,27,30,55H,4-8,10-11,13-17,19,22,24-26,28-29,31-54H2,1-3H3/b12-9-,21-18-,23-20-,30-27-/t55-/m1/s1 Image of MNXM135998
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH2:40][CH2:43][CH2:46][CH2:49][CH2:52][O:60][CH2:53][C@H:55]([CH2:54][O:61][C:56]([CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:26]/[CH:23]=[CH:20]\[CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[O:58])[O:62][C:57]([CH2:51][CH2:48][CH2:45][CH2:42][CH2:39][CH2:36][CH2:33]/[CH:30]=[CH:27]\[CH2:24]/[CH:21]=[CH:18]\[CH2:15]/[CH:12]=[CH:9]\[CH2:6][CH3:3])=[O:59]
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:000164546
slm:000164546
RZDWVTRPHNHEBJ-PCSQJDSHSA-N 		1-O-octadecyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-(11Z-octadecenoyl)-sn-glycerol
Monoalkyldiacylglycerol (O-18:0/18:3(9Z,12Z,15Z)/18:1(11Z))
TG(O-18:0/18:3(9Z,12Z,15Z)/18:1(11Z))
hmdb:HMDB0049575
RZDWVTRPHNHEBJ-PCSQJDSHSA-N 		TG(18:1(11Z)/18:3(9Z,12Z,15Z)/O-18:0)
(2R)-1-[(11Z)-Octadec-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
(2R)-1-[(11Z)-octadec-11-enoyloxy]-3-(octadecyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
1-(11Z-Octadecenoyl)-2-(9Z,12Z,15Z-octadeatrienoyl)-3-octadecanyl-glycerol
1-Vaccenoyl-2-a-linolenoyl-3-stearyl-glycerol
TAG(18:1/18:3/18:0)
TAG(54:4)
TG(18:1(11Z)/18:3(9Z,12Z,15Z)/o-18:0)
TG(18:1/18:3/18:0)
TG(54:4)
Tracylglycerol(18:1/18:3/18:0)
Tracylglycerol(54:4)
Triacylglycerol
Triglyceride

hmdb:HMDB49575 		secondary/obsolete/fantasy identifier