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CHEBI:52443 - 1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate

ChEBI IDCHEBI:52443
ChEBI Name1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate
Stars
ASCII Name1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate
DefinitionA 1D-myo-inositol monophosphate derivative having the phosphate group at the 3-position and an N-acetyl α-D-glucosaminyl residue attached at the 1-position.
Last Modified19 December 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC14H26NO14P
Net Charge0
Average Mass463.329
Monoisotopic Mass463.10909
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
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)/t4-,5-,6-,7-,8-,9-,10+,11+,12+,13-,14-/m1/s1
InChIKeyCHTTVMDQGBOCME-DNSWDBFXSA-N
ChEBI Ontology
Outgoing Relation(s)
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate (CHEBI:52443) has functional parent myo-inositol (CHEBI:17268)
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate (CHEBI:52443) is a myo-inositol monophosphate derivative (CHEBI:84140)
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate (CHEBI:52443) is a 2-deoxy-α-D-glucoside (CHEBI:37449)
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate (CHEBI:52443) is conjugate acid of 1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate(2−) (CHEBI:58892)
Incoming Relation(s)
1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate(2−) (CHEBI:58892) is conjugate base of 1D-myo-inositol 2-acetamido-2-deoxy-α-D-glucopyranoside 3-phosphate (CHEBI:52443)
IUPAC Name 
1-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-1D-myo-inositol 3-(dihydrogen phosphate)
Synonyms  Source
1-O-(2-acetamido-2-deoxy-α-glucopyranosyl)-D-myo-inositol 3-phosphateSUBMITTER
(1R,2S,3S,4R,5R,6S)-3-[(2-acetamido-2-deoxy-α-D-glucopyranosyl)oxy]-2,4,5,6-tetrahydroxycyclohexyl dihydrogen phosphateIUPAC