**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Diglyceride

Properties Image MNX_ID MNXM1560580 reference vmhM:g_1X2X vmhM:g_1X2X formula C47H68O5 global charge 0 mol weight 713.056 InChIKey XIAZEYRSKHAPND-UHFFFAOYSA-N InChI InChI=1S/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3 SMILES CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(CO)OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC MNX internals InChI (mnx) InChI=1/C47H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,23-26,29-32,35-38,45,48H,3-4,9-10,15-16,21-22,27-28,33-34,39-44H2,1-2H3/b7-5?,8-6?,13-11?,14-12?,19-17?,20-18?,25-23?,26-24?,31-29?,32-30?,37-35?,38-36?/t45? SMILES (mnx) [CH3:1][CH2:3][CH:5]=[CH:7][CH2:9][CH:11]=[CH:13][CH2:15][CH:17]=[CH:19][CH2:21][CH:23]=[CH:25][CH2:27][CH:29]=[CH:31][CH2:33][CH:35]=[CH:37][CH2:39][CH2:41][C:46](=[O:49])[O:51][CH2:44][CH:45]([CH2:43][OH:48])[O:52][C:47]([CH2:42][CH2:40][CH:38]=[CH:36][CH2:34][CH:32]=[CH:30][CH2:28][CH:26]=[CH:24][CH2:22][CH:20]=[CH:18][CH2:16][CH:14]=[CH:12][CH2:10][CH:8]=[CH:6][CH2:4][CH3:2])=[O:50]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 49 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
vmhM:g_1X2X vmhM:g_1X2X vmhmetabolite:g_1X2X vmhmetabolite:g_1X2X XIAZEYRSKHAPND-UHFFFAOYSA-N	Diglyceride
vmhM:dag_hs vmhM:dag_hs vmhM:M_g_1X2X	secondary/obsolete/fantasy identifier