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

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triacetin

	Properties	Image
MNX_ID	MNXM87689
reference	chebi:9661
formula	C₉H₁₄O₆
global charge	0
mol weight	218.205
InChIKey	URAYPUMNDPQOKB-UHFFFAOYSA-N
InChI	InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
SMILES	CC(=O)OCC(COC(C)=O)OC(C)=O

MNX internals

InChI (mnx)	InChI=1/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
SMILES (mnx)	[CH3:1][C:6](=[O:10])[O:13][CH2:4][CH:9]([CH2:5][O:14][C:7]([CH3:2])=[O:11])[O:15][C:8]([CH3:3])=[O:12]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:9661 chebi:9661 URAYPUMNDPQOKB-UHFFFAOYSA-N	triacetin 1,2,3-Propanetriol triacetate 1,2,3-Propanetriyl triacetate 1,2,3-triacetoxypropane 1,2,3-triacetylglycerol 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate E 1518 E-1518 E1518 Enzactin Glycerol triacetate Glyceryl triacetate Triacetyl glycerin Triacetyl glycerine Triacetylglycerol glycerin triacetate propane-1,2,3-triyl triacetate triacetina triacetine triacetinum
sabiork.compound:9272 sabiorkM:9272 URAYPUMNDPQOKB-UHFFFAOYSA-N	Triacetin
kegg.drug:D00384 keggD:D00384 URAYPUMNDPQOKB-UHFFFAOYSA-N	Triacetin (USP/INN) Enzactin (TN)
hmdb:HMDB0029592 URAYPUMNDPQOKB-UHFFFAOYSA-N	Triacetin 1,2,3-Propanetriol triacetate 1,2,3-Propanetriol triacetate, 9ci 1,2,3-Propanetriol triacetic acid 1,2,3-Propanetriol, 1,2,3-triacetate 1,2,3-Propanetriol, triacetate 1,2,3-Propanetriyl triacetate 1,2,3-Propanetriyl triacetic acid 1,2,3-Triacetoxypropane 1,2,3-Triacetylglycerol 1,3-bis(acetyloxy)propan-2-yl acetate 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate 2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetic acid Acetic, 1,2,3-propanetriyl ester Blekin Enzacetin Enzactin Estol 1581 Euzactin FEMA 2007 Fungacet Fungacetin Glycerin triacetate Glycerin triacetic acid Glycerol triacetate Glycerol triacetate tributyrin Glycerol triacetic acid Glyceryl triacetate Glyceryl triacetic acid Glyped Kesscoflex tra Kodaflex triacetin Motisil Propane-1,2,3-triyl triacetate Tri-acetin Triacetin (1,2,3-propanetriol triacetate) Triacetin (glycerol triacetate) Triacetin, 8ci, ban, inn, usan Triacetina Triacetine Triacetinum Triacetyl glycerin Triacetyl glycerine Triacetyl glycerol Triacetyl-glycerol Triacetylglycerol Vanay e 1518 e-1518 e1518 triacetin
lipidmaps:LMGL03012615 lipidmapsM:LMGL03012615 URAYPUMNDPQOKB-UHFFFAOYSA-N	Triacetin 1,2,3-triacetoxypropane 1,2,3-triacetyl-glycerol 1,2,3-triacetyl-sn-glycerol glycerin triacetate
SLM:000501125 slm:000501125 URAYPUMNDPQOKB-UHFFFAOYSA-N	triacetin
hmdb:HMDB29592 keggD:M_D00384	secondary/obsolete/fantasy identifier