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

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DG(18:1(11Z)/20:1(11Z)/0:0)

	Properties	Image
MNX_ID	MNXM49554
reference	chebi:88394
formula	C₄₁H₇₆O₅
global charge	0
mol weight	649.054
InChIKey	ZAHZGYVUBKGHCK-PAGAYGOASA-N
InChI	InChI=1S/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42H,3-13,15,18,20-38H2,1-2H3/b16-14-,19-17-/t39-/m0/s1
SMILES	CCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C41H76O5/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16-17,19,39,42H,3-13,15,18,20-38H2,1-2H3/b16-14-,19-17-/t39-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:19]\[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:44])[O:46][C@@H:39]([CH2:37][OH:42])[CH2:38][O:45][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18]/[CH:16]=[CH:14]\[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:43]

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:88394 chebi:88394 ZAHZGYVUBKGHCK-PAGAYGOASA-N	DG(18:1(11Z)/20:1(11Z)/0:0) (2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate 1-Vaccenoyl-2-eicosenoyl-sn-glycerol DAG(18:1/20:1) DAG(18:1n7/20:1n9) DAG(18:1w7/20:1w9) DAG(38:2) DG(18:1/20:1) DG(18:1n7/20:1n9) DG(18:1w7/20:1w9) DG(38:2) Diacylglycerol Diacylglycerol(18:1/20:1) Diacylglycerol(18:1n7/20:1n9) Diacylglycerol(18:1w7/20:1w9) Diacylglycerol(38:2) Diglyceride
SLM:000122164 slm:000122164 ZAHZGYVUBKGHCK-PAGAYGOASA-N	1-(11Z-octadecenoyl)-2-(11Z-eicosenoyl)-sn-glycerol DG(18:1(11Z)/20:1(11Z)/0:0) Diacylglycerol (18:1(11Z)/20:1(11Z)/0:0)
hmdb:HMDB0007195 ZAHZGYVUBKGHCK-PAGAYGOASA-N	DG(18:1(11Z)/20:1(11Z)/0:0) (2S)-1-hydroxy-3-[(11Z)-octadec-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate 1-(11Z-Octadecenoyl)-2-(11-eicosenoyl)-sn-glycerol 1-Vaccenoyl-2-eicosenoyl-sn-glycerol DAG(18:1/20:1) DAG(38:2) DG(18:1/20:1) DG(38:2) Diacylglycerol Diacylglycerol(18:1/20:1) Diacylglycerol(38:2) Diglyceride diacylglycerol
hmdb:HMDB07195	secondary/obsolete/fantasy identifier