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

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3-beta-D-galactosyl-sn-glycerol

	Properties	Image
MNX_ID	MNXM1105770
reference	chebi:15754
formula	C₉H₁₈O₈
global charge	0
mol weight	254.235
InChIKey	NHJUPBDCSOGIKX-NTXXKDEISA-N
InChI	InChI=1S/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
SMILES	OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2/t4-,5-,6+,7+,8-,9-/m1/s1
SMILES (mnx)	[CH2:1]([C@H:4]([CH2:3][O:16][C@H:9]1[C@H:8]([OH:15])[C@@H:7]([OH:14])[C@@H:6]([OH:13])[C@@H:5]([CH2:2][OH:11])[O:17]1)[OH:12])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:15754 chebi:15754 NHJUPBDCSOGIKX-NTXXKDEISA-N	3-beta-D-galactosyl-sn-glycerol (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside 3-O-beta-D-galactopyranosyl-sn-glycerol 3-O-beta-D-galactosyl-sn-glycerol 3-beta-D-Galactosyl-sn-glycerol Galactosylglycerol WURCS=2.0/2,2,1/[h2h][a2112h-1b_1-5]/1-2/a1-b1
kegg.compound:C05401 keggC:C05401 NHJUPBDCSOGIKX-NTXXKDEISA-N	3-beta-D-Galactosyl-sn-glycerol Galactosylglycerol
hmdb:HMDB0304157 NHJUPBDCSOGIKX-NTXXKDEISA-N	3-beta-D-galactosyl-sn-glycerol (2R)-Glyceryl-beta-D-galactopyranoside (2R,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol (R)-Isomer OF isofloridoside (beta-D)-(R)-Isomer OF isofloridoside (beta-D)-(S)-Isomer OF isofloridoside (beta-D)-Isomer OF isofloridoside 3-O-Galactopyranosyl-sn-glycerol 3-O-Galactopyranosylglycerol 3-O-b-D-Galactopyranosyl-sn-glycerol 3-O-b-D-Galactosyl-sn-glycerol 3-O-beta-D-Galactosyl-sn-glycerol 3-O-beta-D-galactopyranosyl-sn-glycerol 3-O-beta-D-galactosyl-sn-glycerol 3-b-D-Galactosyl-sn-glycerol 3-beta-D-Galactosyl-sn-glycerol D-Glyceryl beta-galactopyranoside Galactoside, 2,3-dihydroxypropyl OF isofloridoside Galactosylglycerol Isofloridoside WURCS=2.0/2,2,1/[H2H][a2112h-1b_1-5]/1-2/a1-b1 alpha-Galactosylglycerol beta-D-Galactoside, 2,3-dihydroxypropyl OF isofloridoside
metacyc.compound:3-B-D-GALACTOSYL-SN-GLYCEROL metacycM:3-B-D-GALACTOSYL-SN-GLYCEROL NHJUPBDCSOGIKX-NTXXKDEISA-N	3-beta-D-galactosyl-sn-glycerol 2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5- triol
bigg.metabolite:HC01444 biggM:HC01444 NHJUPBDCSOGIKX-NTXXKDEISA-N	Galactosylglycerol
vmhM:HC01444 vmhmetabolite:HC01444 NHJUPBDCSOGIKX-NTXXKDEISA-N	Galactosylglycerol (2R,3R,4S,5R,6R)-2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
seed.compound:cpd03197 seedM:cpd03197 NHJUPBDCSOGIKX-NTXXKDEISA-N	Galactosylglycerol 2-(2,3-dihydroxypropoxy)-6-(hydroxymethyl)tetrahydropyran-3,4,5- triol 3-beta-D-Galactosyl-sn-glycerol 3-beta-D-galactosyl-sn-glycerol ggl
chebi:11746 chebi:1677 chebi:20243 chebi:5259 chebi:57500 biggM:M_HC01444 keggC:M_C05401 seedM:M_cpd03197 vmhM:M_HC01444	secondary/obsolete/fantasy identifier