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

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DG(18:0/16:0/0:0)

	Properties	Image
MNX_ID	MNXM49510
reference	chebi:88529
formula	C₃₇H₇₂O₅
global charge	0
mol weight	596.978
InChIKey	VYQDALBEQRZDPL-DHUJRADRSA-N
InChI	InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
SMILES	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C37H72O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3/t35-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:39])[O:41][CH2:34][C@H:35]([CH2:33][OH:38])[O:42][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:40]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:88529 chebi:88529 VYQDALBEQRZDPL-DHUJRADRSA-N	DG(18:0/16:0/0:0) (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl octadecanoate 1-Stearoyl-2-palmitoyl-sn-glycerol DAG(18:0/16:0) DAG(34:0) DG(18:0/16:0) DG(34:0) Diacylglycerol Diacylglycerol(18:0/16:0) Diacylglycerol(34:0) Diglyceride
SLM:000119506 slm:000119506 VYQDALBEQRZDPL-DHUJRADRSA-N	1-octadecanoyl-2-hexadecanoyl-sn-glycerol DG(18:0/16:0/0:0) Diacylglycerol (18:0/16:0/0:0)
seed.compound:cpd33352 seedM:cpd33352 VYQDALBEQRZDPL-DHUJRADRSA-N	1-stearoyl-2-palmitoyl-glycerol
metacyc.compound:CPD-17271 metacycM:CPD-17271 VYQDALBEQRZDPL-DHUJRADRSA-N	1-stearoyl-2-palmitoyl-sn-glycerol 1-stearoyl-2-palmitoyl-glycerol
hmdb:HMDB0007156 VYQDALBEQRZDPL-DHUJRADRSA-N	DG(18:0/16:0/0:0) (2S)-2-(hexadecanoyloxy)-3-hydroxypropyl octadecanoate 1-Octadecanoyl-2-hexadecanoyl-sn-glycerol 1-Stearoyl-2-palmitoyl-sn-glycerol DAG(18:0/16:0) DAG(34:0) DG(18:0/16:0) DG(34:0) Diacylglycerol Diacylglycerol(18:0/16:0) Diacylglycerol(34:0) Diglyceride diacylglycerol
lipidmaps:LMGL02010003 lipidmapsM:LMGL02010003 VYQDALBEQRZDPL-DHUJRADRSA-N	DG(18:0/16:0/0:0) 1-octadecanoyl-2-hexadecanoyl-sn-glycerol DG 34:0 DG(16:0_18:0) DG(34:0)
hmdb:HMDB07156 seedM:M_cpd33352	secondary/obsolete/fantasy identifier