Chemical Components in the PDB

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GMH : Summary

Code

GMH

One-letter code

X

Molecule name

L-glycero-alpha-D-manno-heptopyranose

Synonyms

L-glycero-alpha-D-manno-heptose
L-glycero-D-manno-heptose
L-glycero-manno-heptose
L-GLYCERO-D-MANNO-HEPTOPYRANOSE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-glycero-alpha-D-manno-heptopyranose
OpenEye OEToolkits 1.5.0 (2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol

Formula

C7 H14 O7

Formal charge

0

Molecular weight

210.182 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 OC1C(O)C(OC(O)C1O)C(O)CO
SMILES CACTVS 3.341 OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C(C1C(C(C(C(O1)O)O)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O

IUPAC InChI

InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3-,4-,5-,6+,7-/m0/s1

IUPAC InChI key

BGWQRWREUZVRGI-QQABCQGCSA-N
GMH

wwPDB Information

Atom count

28 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned