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

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1-tridecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycerol

	Properties	Image
MNX_ID	MNXM104375
reference	slm:000118732
formula	C₃₆H₆₆O₅
global charge	0
mol weight	578.919
InChIKey	QIXNSNYDIDPUNY-HEVGVMPESA-N
InChI	InChI=1S/C36H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,34,37H,3-10,12,14-15,18-33H2,1-2H3/b13-11-,17-16-/t34-/m0/s1
SMILES	CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C36H66O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-36(39)41-34(32-37)33-40-35(38)30-28-26-24-22-14-12-10-8-6-4-2/h11,13,16-17,34,37H,3-10,12,14-15,18-33H2,1-2H3/b13-11-,17-16-/t34-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:39])[O:41][C@@H:34]([CH2:32][OH:37])[CH2:33][O:40][C:35]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:38]

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
SLM:000118732 slm:000118732 QIXNSNYDIDPUNY-HEVGVMPESA-N	1-tridecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycerol DG(13:0/20:2(11Z,14Z)/0:0) Diacylglycerol (13:0/20:2(11Z,14Z)/0:0)
lipidmaps:LMGL02010366 lipidmapsM:LMGL02010366 QIXNSNYDIDPUNY-HEVGVMPESA-N	DG(13:0/20:2(11Z,14Z)/0:0)[iso2] 1-tridecanoyl-2-(11Z,14Z-eicosadienoyl)-sn-glycerol DG 33:2 DG(13:0_20:2) DG(33:2)