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

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DG(20:0/14:1(9Z)/0:0)

	Properties	Image
MNX_ID	MNXM49743
reference	chebi:89027
formula	C₃₇H₇₀O₅
global charge	0
mol weight	594.962
InChIKey	SHOHARHTHMTOQW-UPROKQPWSA-N
InChI	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,35,38H,3-9,11,13-34H2,1-2H3/b12-10-/t35-/m0/s1
SMILES	CCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C37H70O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-21-14-12-10-8-6-4-2/h10,12,35,38H,3-9,11,13-34H2,1-2H3/b12-10-/t35-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][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][CH2:21][CH2:14]/[CH:12]=[CH: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)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89027 chebi:89027 SHOHARHTHMTOQW-UPROKQPWSA-N	DG(20:0/14:1(9Z)/0:0) (2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl icosanoate 1-Arachidonyl-2-myristoleoyl-sn-glycerol DAG(20:0/14:1) DAG(20:0/14:1n5) DAG(20:0/14:1w5) DAG(34:1) DG(20:0/14:1) DG(20:0/14:1n5) DG(20:0/14:1w5) DG(34:1) Diacylglycerol Diacylglycerol(20:0/14:1) Diacylglycerol(20:0/14:1n5) Diacylglycerol(20:0/14:1w5) Diacylglycerol(34:1) Diglyceride
SLM:000119394 slm:000119394 SHOHARHTHMTOQW-UPROKQPWSA-N	1-eicosanoyl-2-(9Z-tetradecenoyl)-sn-glycerol DG(20:0/14:1(9Z)/0:0) Diacylglycerol (20:0/14:1(9Z)/0:0)
hmdb:HMDB0007357 SHOHARHTHMTOQW-UPROKQPWSA-N	DG(20:0/14:1(9Z)/0:0) (2S)-3-hydroxy-2-[(9Z)-tetradec-9-enoyloxy]propyl icosanoate 1-Arachidonyl-2-myristoleoyl-sn-glycerol 1-Eicosanoyl-2-(9Z-tetradecenoyl)-sn-glycerol DAG(20:0/14:1) DAG(34:1) DG(20:0/14:1) DG(34:1) Diacylglycerol Diacylglycerol(20:0/14:1) Diacylglycerol(34:1) Diglyceride diacylglycerol
hmdb:HMDB07357	secondary/obsolete/fantasy identifier