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

Feedback

DG(18:1(9Z)/16:1(9Z)/0:0)

	Properties	Image
MNX_ID	MNXM49575
reference	chebi:89229
formula	C₃₇H₆₈O₅
global charge	0
mol weight	592.946
InChIKey	PFIBPRNWUYNCLJ-DATDAJMQSA-N
InChI	InChI=1S/C37H68O5/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/h14,16-18,35,38H,3-13,15,19-34H2,1-2H3/b16-14-,18-17-/t35-/m0/s1
SMILES	CCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C37H68O5/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/h14,16-18,35,38H,3-13,15,19-34H2,1-2H3/b16-14-,18-17-/t35-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH: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]/[CH:16]=[CH: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)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89229 chebi:89229 PFIBPRNWUYNCLJ-DATDAJMQSA-N	DG(18:1(9Z)/16:1(9Z)/0:0) (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl (9Z)-octadec-9-enoate 1-Oleoyl-2-palmitoleoyl-sn-glycerol DAG(18:1/16:1) DAG(18:1n9/16:1n7) DAG(18:1w9/16:1w7) DAG(34:2) DG(18:1/16:1) DG(18:1n9/16:1n7) DG(18:1w9/16:1w7) DG(34:2) Diacylglycerol Diacylglycerol(18:1/16:1) Diacylglycerol(18:1n9/16:1n7) Diacylglycerol(18:1w9/16:1w7) Diacylglycerol(34:2) Diglyceride
SLM:000119301 slm:000119301 PFIBPRNWUYNCLJ-DATDAJMQSA-N	1-(9Z-octadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycerol DG(18:1(9Z)/16:1(9Z)/0:0) Diacylglycerol (18:1(9Z)/16:1(9Z)/0:0)
hmdb:HMDB0007215 PFIBPRNWUYNCLJ-DATDAJMQSA-N	DG(18:1(9Z)/16:1(9Z)/0:0) (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropyl (9Z)-octadec-9-enoate 1-(9Z-Octadecenoyl)-2-(9Z-hexadecenoyl)-sn-glycerol 1-Oleoyl-2-palmitoleoyl-sn-glycerol DAG(18:1/16:1) DAG(34:2) DG(18:1/16:1) DG(34:2) Diacylglycerol Diacylglycerol(18:1/16:1) Diacylglycerol(34:2) Diglyceride diacylglycerol
hmdb:HMDB07215	secondary/obsolete/fantasy identifier