MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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DG(20:2(11Z,14Z)/18:0/0:0)

	Properties	Image
MNX_ID	MNXM49810
reference	chebi:89030
formula	C₄₁H₇₆O₅
global charge	0
mol weight	649.054
InChIKey	ASDDLJYCZHQDQL-WGYNPVHSSA-N
InChI	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-/m0/s1
SMILES	CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(43)45-38-39(37-42)46-41(44)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,39,42H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:40](=[O:43])[O:45][CH2:38][C@H:39]([CH2:37][OH:42])[O:46][C:41]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:21][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44]

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
Identifier	Description
CHEBI:89030 chebi:89030 ASDDLJYCZHQDQL-WGYNPVHSSA-N	DG(20:2(11Z,14Z)/18:0/0:0) (2S)-3-hydroxy-2-(octadecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate 1-Eicosadienoyl-2-stearoyl-sn-glycerol DAG(20:2/18:0) DAG(20:2n6/18:0) DAG(20:2w6/18:0) DAG(38:2) DG(20:2/18:0) DG(20:2n6/18:0) DG(20:2w6/18:0) DG(38:2) Diacylglycerol Diacylglycerol(20:2/18:0) Diacylglycerol(20:2n6/18:0) Diacylglycerol(20:2w6/18:0) Diacylglycerol(38:2) Diglyceride
SLM:000122161 slm:000122161 ASDDLJYCZHQDQL-WGYNPVHSSA-N	1-(11Z,14Z-eicosadienoyl)-2-octadecanoyl-sn-glycerol DG(20:2(11Z,14Z)/18:0/0:0) Diacylglycerol (20:2(11Z,14Z)/18:0/0:0)
hmdb:HMDB0007419 ASDDLJYCZHQDQL-WGYNPVHSSA-N	DG(20:2(11Z,14Z)/18:0/0:0) (2S)-3-hydroxy-2-(octadecanoyloxy)propyl (11Z,14Z)-icosa-11,14-dienoate 1-(11Z,14Z-Eicosadienoyl)-2-octadecanoyl-sn-glycerol 1-Eicosadienoyl-2-stearoyl-sn-glycerol DAG(20:2/18:0) DAG(38:2) DG(20:2/18:0) DG(38:2) Diacylglycerol Diacylglycerol(20:2/18:0) Diacylglycerol(38:2) Diglyceride diacylglycerol
hmdb:HMDB07419	secondary/obsolete/fantasy identifier