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1,3-di-(13-methyltetradecanoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol

PropertiesImage
MNX_IDMNXM177717 Image of MNXM177717
referenceslm:000136420
formulaC51H92O6
global charge0
mol weight801.291
InChIKeyYOHYJFHWHGETHS-OYOYTXPASA-N
InChIInChI=1S/C51H92O6/c1-6-7-8-9-10-11-12-13-14-15-16-21-28-33-38-43-51(54)57-48(44-55-49(52)41-36-31-26-22-17-19-24-29-34-39-46(2)3)45-56-50(53)42-37-32-27-23-18-20-25-30-35-40-47(4)5/h10-11,13-14,16,21,46-48H,6-9,12,15,17-20,22-45H2,1-5H3/b11-10-,14-13-,21-16-
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC(COC(=O)CCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C51H92O6/c1-6-7-8-9-10-11-12-13-14-15-16-21-28-33-38-43-51(54)57-48(44-55-49(52)41-36-31-26-22-17-19-24-29-34-39-46(2)3)45-56-50(53)42-37-32-27-23-18-20-25-30-35-40-47(4)5/h10-11,13-14,16,21,46-48H,6-9,12,15,17-20,22-45H2,1-5H3/b11-10-,14-13-,21-16- Image of MNXM177717
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:21]\[CH2:28][CH2:33][CH2:38][CH2:43][C:51](=[O:54])[O:57][CH:48]([CH2:44][O:55][C:49]([CH2:41][CH2:36][CH2:31][CH2:26][CH2:22][CH2:17][CH2:19][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][CH2:27][CH2:23][CH2:18][CH2:20][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:000136420
slm:000136420
YOHYJFHWHGETHS-OYOYTXPASA-N
1,3-di-(13-methyltetradecanoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycerol
TG(15:0/18:3(6Z,9Z,12Z)/15:0)
Triacylglycerol (15:0/18:3(6Z,9Z,12Z)/15:0)