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

Feedback

(2S)-3-Hydroxy-1,2-propanediyl dibutanoate

	Properties	Image
MNX_ID	MNXM9527
reference	chebi:177530
formula	C₁₁H₂₀O₅
global charge	0
mol weight	232.276
InChIKey	AWHAUPZHZYUHOM-VIFPVBQESA-N
InChI	InChI=1S/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3/t9-/m0/s1
SMILES	CCCC(=O)OC[C@H](CO)OC(=O)CCC

MNX internals

InChI (mnx)	InChI=1/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3/t9-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][C:10](=[O:13])[O:15][CH2:8][C@H:9]([CH2:7][OH:12])[O:16][C:11]([CH2:6][CH2:4][CH3:2])=[O:14]

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:177530 chebi:177530 AWHAUPZHZYUHOM-VIFPVBQESA-N	(2S)-3-Hydroxy-1,2-propanediyl dibutanoate [(2S)-2-butanoyloxy-3-hydroxypropyl] butanoate
hmdb:HMDB0304007 AWHAUPZHZYUHOM-UHFFFAOYSA-N	1,2-dibutyrin (2-Butanoyloxy-3-hydroxypropyl) butanoate (2-Butanoyloxy-3-hydroxypropyl) butanoic acid 1-(Butanoyloxy)-3-hydroxypropan-2-yl butanoic acid 1-(butanoyloxy)-3-hydroxypropan-2-yl butanoate 2,3-Dibutyrin Glycerin-1,2-dibutyrate Glycerin-1,2-dibutyric acid Glycerin-a,b-dibutyrin Glycerin-alpha,beta-dibutyrin Glycerol-1,2-dibutanoate Glycerol-1,2-dibutanoic acid Glycerol-1,2-dibutyrate Glycerol-1,2-dibutyric acid Glycerol-a,b-dibutanozte Glycerol-a,b-dibutyrate Glycerol-a,b-dibutyric acid Glycerol-a,b-dibutyrin Glycerol-alpha,beta-dibutanozte Glycerol-alpha,beta-dibutyrate Glycerol-alpha,beta-dibutyric acid Glycerol-alpha,beta-dibutyrin a,b-Dibutyrine alpha,beta-Dibutyrine alpha,beta-dibutyrine b-Dibutyrin beta-Dibutyrin beta-dibutyrin
CHEBI:76537 chebi:76537 AWHAUPZHZYUHOM-UHFFFAOYSA-N	1,2-dibutyrin (2-butanoyloxy-3-hydroxypropyl) butanoate 2,3-dibutyrin 3-hydroxypropane-1,2-diyl dibutanoate alpha,beta-dibutyrine beta-dibutyrin glycerin-1,2-dibutyrate glycerin-alpha,beta-dibutyrin glycerol-1,2-dibutanoate glycerol-1,2-dibutyrate glycerol-alpha,beta-dibutanozte glycerol-alpha,beta-dibutyrate glycerol-alpha,beta-dibutyrin
metacyc.compound:CPD-13040 metacycM:CPD-13040 AWHAUPZHZYUHOM-VIFPVBQESA-N	1,2-dibutyrin beta-dibutyrin butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester dibutyrylglycerol glycerol 1,2-dibutanoate
seed.compound:cpd23712 seedM:cpd23712 AWHAUPZHZYUHOM-VIFPVBQESA-N	1,2-dibutyrin beta-dibutyrin butanoic acid, 1-(hydroxymethyl)-1,2-ethanediyl ester dibutyrylglycerol glycerol 1,2-dibutanoate glycerol 1,2-dibutyrate
sabiork.compound:28883 sabiorkM:28883 AWHAUPZHZYUHOM-UHFFFAOYSA-N	Dibutyrylglycerol
seedM:M_cpd23712	secondary/obsolete/fantasy identifier