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- ChemComp-BMX: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose -

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Basic information

EntryDatabase: PDB chemical components / ID: BMX
NameName: 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
Synonyms: 2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE; N-acetyl-6-O-phosphono-alpha-D-mannosamine;

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Chemical information

Composition
Formula: C8H16NO9P / Number of atoms: 35 / Formula weight: 301.188 / Formal charge: 0
Others

2yi1

BM3

Type: D-saccharide, alpha linking / PDB classification: ATOMS / Three letter code: BMX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2YI1 / Parent comp.: BM3
History
Create componentMay 10, 2011
Modify descriptorJun 4, 2011
Other modificationJul 3, 2020
Modify parent residueJul 17, 2020
Modify nameJul 17, 2020
Modify synonymsJul 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 / ChEBI / HMDB / NMRShiftDB / PubChem / SureChEMBL / 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 12.01O=P(O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
CACTVS 3.370CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.2CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)O

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SMILES CANONICAL

CACTVS 3.370CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.7.2CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O

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InChI

InChI 1.03InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5+,6-,7-,8+/m1/s1

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InChIKey

InChI 1.03BRGMHAYQAZFZDJ-UOLFYFMNSA-N

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SYSTEMATIC NAME

ACDLabs 12.012-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose
OpenEye OEToolkits 1.7.2[(2R,3S,4R,5S,6S)-5-acetamido-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

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IUPAC CARBOHYDRATE SYMBOL

PDB-CARE 1.0a-D-ManpNAc6PO3

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PDB entries

Showing all 6 items

PDB-2yi1:
Crystal structure of N-Acetylmannosamine kinase in complex with N- acetyl mannosamine 6-phosphate and ADP.

PDB-4ivn:
The Vibrio vulnificus NanR protein complexed with ManNAc-6P

PDB-6jdb:
Crystal structure of N-acetyl mannosmaine kinase in complex with ManNAc-6P and ADP from Haemophilus influenzae

PDB-6yuq:
Capsule O-acetyltransferase of Neisseria meningitidis serogroup A in complex with polysaccharide

PDB-8tx9:
Nan Regulatory Protein (core isomerase domain) from Streptococcus pneumoniae

PDB-8v4v:
Nan Regulatory Protein Full-length from Streptococcus pneumoniae

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