Search MNXref
 Feedback

1-(13-methyltetradecanoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-3-(11-methyldodecanoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM213953 Image of MNXM213953
referenceslm:000135872
formulaC51H90O6
global charge0
mol weight799.275
InChIKeyXOUQNSDGAUOSIG-DBMSCNMISA-N
InChIInChI=1S/C51H90O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-33-38-43-51(54)57-48(45-56-50(53)42-37-32-28-23-25-30-35-40-47(4)5)44-55-49(52)41-36-31-26-22-19-20-24-29-34-39-46(2)3/h7-8,10-11,13-14,16-17,46-48H,6,9,12,15,18-45H2,1-5H3/b8-7-,11-10-,14-13-,17-16-/t48-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C51H90O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-33-38-43-51(54)57-48(45-56-50(53)42-37-32-28-23-25-30-35-40-47(4)5)44-55-49(52)41-36-31-26-22-19-20-24-29-34-39-46(2)3/h7-8,10-11,13-14,16-17,46-48H,6,9,12,15,18-45H2,1-5H3/b8-7-,11-10-,14-13-,17-16-/t48-/m1/s1 Image of MNXM213953
SMILES (mnx)[CH3:1][CH2:6]/[CH:7]=[CH:8]\[CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:21][CH2:27][CH2:33][CH2:38][CH2:43][C:51](=[O:54])[O:57][C@H:48]([CH2:44][O:55][C:49]([CH2:41][CH2:36][CH2:31][CH2:26][CH2:22][CH2:19][CH2:20][CH2:24][CH2:29][CH2:34][CH2:39][CH:46]([CH3:2])[CH3:3])=[O:52])[CH2:45][O:56][C:50]([CH2:42][CH2:37][CH2:32][CH2:28][CH2:23][CH2:25][CH2:30][CH2:35][CH2:40][CH:47]([CH3:4])[CH3:5])=[O:53]
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:000135872
slm:000135872
XOUQNSDGAUOSIG-DBMSCNMISA-N
1-(13-methyltetradecanoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-3-(11-methyldodecanoyl)-sn-glycerol
TG(15:0/20:4(8Z,11Z,14Z,17Z)/13:0)
Triacylglycerol (15:0/20:4(8Z,11Z,14Z,17Z)/13:0)