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- ChemComp-MYG: (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-de... -

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Open data


ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: MYG
NameName: (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
Synonyms: GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL; (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl

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Chemical information

Composition
Formula: C12H23NO10 / Number of atoms: 46 / Formula weight: 341.312 / Formal charge: 0
Others

1gym

PA1

Type: D-saccharide / PDB classification: ATOMS / Three letter code: MYG / Model coordinates PDB-ID: 1GYM / Parent comp.: PA1
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 17, 2020
Modify internal typeJul 17, 2020
Modify linking typeJul 17, 2020
Modify atom idJul 17, 2020
Modify component atom idJul 17, 2020
Modify leaving atom flagJul 17, 2020
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / HMDB / KEGG_Ligand / Metabolights / Nikkaji / PubChem_TPharma / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O(C1C(O)C(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2N)CO
CACTVS 3.341N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)O)O)O

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SMILES CANONICAL

CACTVS 3.341N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OC2[C@@H]([C@@H](C([C@H]([C@@H]2O)O)O)O)O)N)O)O)O

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InChI

InChI 1.03InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1

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InChIKey

InChI 1.03HEPUIGACZYVUCD-YZRQSVRMSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
OpenEye OEToolkits 1.5.0(1R,2R,4R,5S)-6-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexane-1,2,3,4,5-pentol

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0glucosaminyl-(alpha-6)-D-myo-inositol

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PDB entries

Showing all 1 items

PDB-1gym:
PHOSPHATIDYLINOSITOL-SPECIFIC PHOSPHOLIPASE C IN COMPLEX WITH GLUCOSAMINE-(ALPHA-1-6)-MYO-INOSITOL

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