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alpha,alpha-trehalose 6-phosphate

Properties Image MNX_ID MNXM448 reference chebi:58429 formula C12H21O14P global charge -2 mol weight 420.26 InChIKey LABSPYBHMPDTEL-LIZSDCNHSA-L InChI InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/p-2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 SMILES O=P([O-])([O-])OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 SMILES (mnx) [CH2:1]([C@@H:3]1[C@@H:5]([OH:14])[C@H:7]([OH:16])[C@@H:9]([OH:18])[C@@H:11]([O:26][C@@H:12]2[C@H:10]([OH:19])[C@@H:8]([OH:17])[C@H:6]([OH:15])[C@@H:4]([CH2:2][O:23][P:27]([OH:20])([OH:21])=[O:22])[O:25]2)[O:24]1)[OH:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 49 in models (compartimentalized) 19

Similar chemical compounds in external resources

Identifier	Description
CHEBI:58429 chebi:58429 LABSPYBHMPDTEL-LIZSDCNHSA-L	alpha,alpha-trehalose 6-phosphate alpha,alpha-trehalose 6-phosphate(2-) alpha-D-glucopyranosyl 6-O-phosphonato-alpha-D-glucopyranoside
CHEBI:182126 chebi:182126 LABSPYBHMPDTEL-UHFFFAOYSA-N	6-o-Phosphonohexopyranosyl hexopyranoside [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
bigg.metabolite:tre6p biggM:tre6p LABSPYBHMPDTEL-UHFFFAOYSA-M	Alpha,alpha'-Trehalose 6-phosphate
kegg.glycan:G09795 keggG:G09795	Trehalose 6-phosphate
seed.compound:cpd00523 seedM:cpd00523 LABSPYBHMPDTEL-LIZSDCNHSA-L	Trehalose 6-phosphate D-trehalose-6-phosphate alpha,alpha'-Trehalose 6-phosphate alpha,alpha-D-trehalose 6-phosphate alpha,alpha-trehalose 6-phosphate tre6p trehalose 6-phosphate trehalose phosphate
hmdb:HMDB0001124 LABSPYBHMPDTEL-LIZSDCNHSA-N	Trehalose 6-phosphate Trehalose 6-phosphoric acid Trehalose-6-phosphate a,Alpha'-trehalose 6-phosphate a,Alpha'-trehalose 6-phosphoric acid a-D-Glucopyranosyl a-D-glucopyranoside 6-(dihydrogen phosphate) a-D-Glucopyranosyl a-D-glucopyranoside 6-(dihydrogen phosphoric acid) alpha,Alpha'-trehalose 6-phosphate alpha,Alpha'-trehalose 6-phosphoric acid alpha,alpha'-trehalose 6-phosphate alpha,alpha'-trehalose 6-phosphoric acid alpha-D-Glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate) alpha-D-Glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphoric acid) alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate) alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphoric acid) {[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
sabiork.compound:1613 sabiorkM:1613 LABSPYBHMPDTEL-LIZSDCNHSA-N	Trehalose 6-phosphate alpha,alpha'-Trehalose 6-phosphate
kegg.compound:C00689 keggC:C00689 LABSPYBHMPDTEL-LIZSDCNHSA-N	alpha,alpha'-Trehalose 6-phosphate Trehalose 6-phosphate
vmhM:tre6p vmhM:tre6p vmhmetabolite:tre6p vmhmetabolite:tre6p LABSPYBHMPDTEL-LIZSDCNHSA-L	alpha,alpha-Trehalose 6-phosphate {[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
reactome:R-ALL-868701 reactomeM:R-ALL-868701 CHEBI:18283 chebi:18283 LABSPYBHMPDTEL-LIZSDCNHSA-N	alpha,alpha-trehalose 6-phosphate Trehalose 6-phosphate alpha,alpha'-Trehalose 6-phosphate alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate)
metacyc.compound:TREHALOSE-6P metacycM:TREHALOSE-6P LABSPYBHMPDTEL-LIZSDCNHSA-L	alpha,alpha-trehalose 6-phosphate alpha,alpha-D-trehalose 6-phosphate
hmdb:HMDB01124 chebi:10201 chebi:12285 chebi:15252 chebi:22364 biggM:M_tre6p keggC:M_C00689 keggG:M_G09795 seedM:M_cpd00523 vmhM:M_tre6p	secondary/obsolete/fantasy identifier