Chemical Components in the PDB

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LIP : Summary

Code

LIP

One-letter code

X

Molecule name

L-MYO-INOSITOL-1-PHOSPHATE

Systematic names

ProgramVersionName
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

Formula

C6 H11 O9 P

Formal charge

-2

Molecular weight

258.12 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
SMILES CACTVS 3.370 O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.6 C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O
Canonical SMILES CACTVS 3.370 O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[P]([O-])([O-])=O)[C@@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.6 [C@H]1([C@@H](C([C@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O

IUPAC InChI

InChI=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

IUPAC InChI key

INAPMGSXUVUWAF-PTQMNWPWSA-L
LIP

wwPDB Information

Atom count

27 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2013-03-12

Status

Released

Obsoleted

Not Assigned