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- ChemComp-LIP: L-MYO-INOSITOL-1-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: LIP
NameName: L-myo-inositol-1-phosphate

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Chemical information

Composition
Formula: C6H11O9P / Number of atoms: 27 / Formula weight: 258.12 / Formal charge: -2
Others

1imb

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LIP / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1IMB
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
Other modificationMar 12, 2013
External linksUniChem / ChemSpider / 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-])OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.370O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O

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SMILES CANONICAL

CACTVS 3.370O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[P]([O-])([O-])=O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6[C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O

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InChI

InChI 1.03InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m0/s1

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InChIKey

InChI 1.03INAPMGSXUVUWAF-PTQMNWPWSA-L

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SYSTEMATIC NAME

ACDLabs 12.01(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
OpenEye OEToolkits 1.7.6[(2S,3R,5S,6S)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate

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PDB entries

Showing all 4 items

PDB-1imb:
STRUCTURAL ANALYSIS OF INOSITOL MONOPHOSPHATASE COMPLEXES WITH SUBSTRATES

PDB-3c4v:
Structure of the retaining glycosyltransferase MshA:The first step in mycothiol biosynthesis. Organism: Corynebacterium glutamicum : Complex with UDP and 1L-INS-1-P.

PDB-4xf6:
myo-inositol 3-kinase bound with its products (ADP and 1D-myo-inositol 3-phosphate)

PDB-6wmv:
Structure of a phosphatidylinositol-phosphate synthase (PIPS) from Mycobacterium kansasii with evidence of substrate binding

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