Search MNXref
 Feedback

1-heneicosanoyl-2-(13Z-docosenoyl)-3-(11Z-eicosenoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM356881 Image of MNXM356881
referenceslm:000264368
formulaC66H124O6
global charge0
mol weight1013.712
InChIKeyBZUVGUKBZWMMOC-QABPYPSMSA-N
InChIInChI=1S/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,63H,4-24,26,29,31-62H2,1-3H3/b28-25-,30-27-/t63-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C66H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63(61-70-64(67)58-55-52-49-46-43-40-37-34-30-27-24-21-18-15-12-9-6-3)62-71-65(68)59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,63H,4-24,26,29,31-62H2,1-3H3/b28-25-,30-27-/t63-/m0/s1 Image of MNXM356881
SMILES (mnx)[CH3:1][CH2:4][CH2:7][CH2:10][CH2:13][CH2:16][CH2:19][CH2:22]/[CH:25]=[CH:28]\[CH2:31][CH2:33][CH2:36][CH2:39][CH2:42][CH2:45][CH2:48][CH2:51][CH2:54][CH2:57][CH2:60][C:66](=[O:69])[O:72][C@@H:63]([CH2:61][O:70][C:64]([CH2:58][CH2:55][CH2:52][CH2:49][CH2:46][CH2:43][CH2:40][CH2:37][CH2:34]/[CH:30]=[CH:27]\[CH2:24][CH2:21][CH2:18][CH2:15][CH2:12][CH2:9][CH2:6][CH3:3])=[O:67])[CH2:62][O:71][C:65]([CH2:59][CH2:56][CH2:53][CH2:50][CH2:47][CH2:44][CH2:41][CH2:38][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:68]
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:000264368
slm:000264368
BZUVGUKBZWMMOC-QABPYPSMSA-N
1-heneicosanoyl-2-(13Z-docosenoyl)-3-(11Z-eicosenoyl)-sn-glycerol
TG(21:0/22:1(13Z)/20:1(11Z))
Triacylglycerol (21:0/22:1(13Z)/20:1(11Z))