Marvin  04201011232D          

 26 28  0  0  0  0            999 V2000
    3.1835    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979   -0.2357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8979   -1.0607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1835   -1.4732    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4690   -1.0607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4690   -0.2357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3269    1.4143    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3269    2.2392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6124    2.6518    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8979    2.2394    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8979    1.4144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6124    1.0018    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1834    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124   -1.4732    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545   -1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    3.4768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1834    2.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835   -2.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7545    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0401   -0.2357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    2.4942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1115    1.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5964    1.8267    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.1798    2.4101    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1798    1.2434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
  3 14  1  6  0  0  0
  5 15  1  6  0  0  0
  9 16  1  1  0  0  0
 10 17  1  6  0  0  0
  4 18  1  1  0  0  0
  6 19  1  1  0  0  0
 19 20  1  0  0  0  0
  2 21  1  6  0  0  0
 12 21  1  6  0  0  0
  7 23  1  1  0  0  0
  8  7  1  0  0  0  0
  8 22  1  1  0  0  0
 23 24  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <ID>
CHEBI:52426

> <NAME>
6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

> <DEFINITION>
A myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an α-D-glucosaminyl residue attached at the 6-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:52420; CHEBI:12192

> <SYNONYM>
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate; (3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-alpha-D-glucopyranoside

> <IUPAC_NAME>
6-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-1D-myo-inositol 1,2-(hydrogen phosphate)

> <FORMULA>
C12H22NO12P; C12H22NO12P

> <MASS>
403.27630

> <MONOISOTOPIC_MASS>
403.08796

> <CHARGE>
0

> <SMILES>
N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H]2OP(O)(=O)O[C@@H]12

> <INCHI>
InChI=1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1

> <INCHIKEY>
ZULNQPCZALKHMF-LBZOJLJLSA-N

> <CAS_REGISTRY_NUMBER>
140391-24-8

> <REAXYS_REGISTRY_NUMBER>
5458640

> <KEGG_COMPOUND_ACCESSION>
C16070

> <PUBMED_CITATION>
7521581; 7679286

$$$$