Search MNXref
 Feedback

1-heptadecanoyl-2-(9Z,11E-octadecadienoyl)-3-tridecanoyl-sn-glycerol

PropertiesImage
MNX_IDMNXM361823 Image of MNXM361823
referenceslm:000136777
formulaC51H94O6
global charge0
mol weight803.307
InChIKeySSSDRELADWHUSJ-QVPSIXQASA-N
InChIInChI=1S/C51H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,24,26,48H,4-18,20-21,23,25,27-47H2,1-3H3/b22-19+,26-24-/t48-/m0/s1
SMILESCCCCCC/C=C/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H94O6/c1-4-7-10-13-16-19-22-24-26-28-30-33-36-39-42-45-51(54)57-48(46-55-49(52)43-40-37-34-31-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h19,22,24,26,48H,4-18,20-21,23,25,27-47H2,1-3H3/b22-19+,26-24-/t48-/m0/s1 Image of MNXM361823
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16]/[CH:19]=[CH:22]/[CH:24]=[CH:26]\[CH2:28][CH2:30][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][C:51](=[O:54])[O:57][C@@H:48]([CH2:46][O:55][C:49]([CH2:43][CH2:40][CH2:37][CH2:34][CH2:31][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:52])[CH2:47][O:56][C:50]([CH2:44][CH2:41][CH2:38][CH2:35][CH2:32][CH2:29][CH2:27][CH2:25][CH2:23][CH2:20][CH2:17][CH2:14][CH2:11][CH2:8][CH2:5][CH3:2])=[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:000136777
slm:000136777
SSSDRELADWHUSJ-QVPSIXQASA-N
1-heptadecanoyl-2-(9Z,11E-octadecadienoyl)-3-tridecanoyl-sn-glycerol
TG(17:0/18:2(9Z,11E)/13:0)
Triacylglycerol (17:0/18:2(9Z,11E)/13:0)