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1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate

PropertiesImage
MNX_IDMNXM2596 Image of MNXM2596
referencechebi:58892
formulaC14H24NO14P
global charge-2
mol weight461.313
InChIKeyCHTTVMDQGBOCME-DNSWDBFXSA-L
InChIInChI=1S/C14H26NO14P/c1-3(17)15-5-7(19)6(18)4(2-16)27-14(5)28-12-9(21)8(20)10(22)13(11(12)23)29-30(24,25)26/h4-14,16,18-23H,2H2,1H3,(H,15,17)(H2,24,25,26)/p-2/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-/m1/s1
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H26NO14P/c1-3(17)15-5-7(19)6(18)4(2-16)27-14(5)28-12-9(21)8(20)10(22)13(11(12)23)29-30(24,25)26/h4-14,16,18-23H,2H2,1H3,(H,15,17)(H2,24,25,26)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-/m1/s1 Image of MNXM2596
SMILES (mnx)[CH3:1][C:3](=[N:15][C@@H:5]1[C@@H:7]([OH:19])[C@H:6]([OH:18])[C@@H:4]([CH2:2][OH:16])[O:27][C@@H:14]1[O:28][C@H:12]1[C@H:9]([OH:21])[C@@H:8]([OH:20])[C@H:10]([OH:22])[C@@H:13]([O:29][P:30]([OH:24])([OH:25])=[O:26])[C@H:11]1[OH:23])[OH:17]
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
IdentifierDescription

CHEBI:58892
chebi:58892
CHTTVMDQGBOCME-DNSWDBFXSA-L 		1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate
(1R,2S,3S,4R,5R,6S)-3-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexyl phosphate
1-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate dianion
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate(2-)

seed.compound:cpd21007
seedM:cpd21007
kegg.compound:C19761
keggC:C19761
CHTTVMDQGBOCME-DNSWDBFXSA-L
CHTTVMDQGBOCME-DNSWDBFXSA-N 		1-O-(2-Acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate

metacyc.compound:CPD-11975
metacycM:CPD-11975
CHTTVMDQGBOCME-DNSWDBFXSA-L 		1-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate
GlcNAc-Ins-P

seed.compound:cpd23173
seedM:cpd23173
CHTTVMDQGBOCME-DNSWDBFXSA-L 		1-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-D-myo-inositol-3-phosphate
1-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-phosphate
GlcNAc-Ins-P

reactome:R-ALL-879263
reactomeM:R-ALL-879263
CHEBI:52443
chebi:52443
CHTTVMDQGBOCME-DNSWDBFXSA-N 		1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate
(1R,2S,3S,4R,5R,6S)-3-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexyl dihydrogen phosphate
1-O-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-1D-myo-inositol 3-(dihydrogen phosphate)
1-O-(2-acetamido-2-deoxy-alpha-glucopyranosyl)-D-myo-inositol 3-phosphate

keggC:M_C19761
seedM:M_cpd21007
seedM:M_cpd23173 		secondary/obsolete/fantasy identifier