Chemical Components in the PDB

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GMB : Summary

Code

GMB

One-letter code

X

Molecule name

1,7-di-O-phosphono-L-glycero-beta-D-manno-heptopyranose

Synonyms

1,7-di-O-phosphono-L-glycero-beta-D-manno-heptose
1,7-di-O-phosphono-L-glycero-D-manno-heptose
1,7-di-O-phosphono-L-glycero-manno-heptose

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 [(2S)-2-hydroxy-2-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-phosphonooxy-oxan-2-yl]ethyl] dihydrogen phosphate

Formula

C7 H16 O13 P2

Formal charge

0

Molecular weight

370.142 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 O[CH](CO[P](O)(O)=O)[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 C(C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.352 O[C@@H](CO[P](O)(O)=O)[C@H]1O[C@@H](O[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OP(=O)(O)O)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C7H16O13P2/c8-2(1-18-21(12,13)14)6-4(10)3(9)5(11)7(19-6)20-22(15,16)17/h2-11H,1H2,(H2,12,13,14)(H2,15,16,17)/t2-,3-,4-,5-,6+,7-/m0/s1

IUPAC InChI key

LMTGTTLGDUACSJ-QQABCQGCSA-N
GMB

wwPDB Information

Atom count

38 (22 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2010-01-11

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned