Chemical Components in the PDB

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2M5 : Summary

Code

2M5

One-letter code

X

Molecule name

methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside

Synonyms

methyl 7-deoxy-L-glycero-alpha-D-manno-heptoside
methyl 7-deoxy-L-glycero-D-manno-heptoside
methyl 7-deoxy-L-glycero-manno-heptoside

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl 7-deoxy-L-glycero-alpha-D-manno-heptopyranoside
OpenEye OEToolkits 1.7.0 (2R,3S,4S,5S,6S)-2-[(1S)-1-hydroxyethyl]-6-methoxy-oxane-3,4,5-triol

Formula

C8 H16 O6

Formal charge

0

Molecular weight

208.209 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(O)C(O)C(OC1OC)C(O)C
SMILES CACTVS 3.370 CO[CH]1O[CH]([CH](C)O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 CC(C1C(C(C(C(O1)OC)O)O)O)O
Canonical SMILES CACTVS 3.370 CO[C@H]1O[C@H]([C@H](C)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)OC)O)O)O)O

IUPAC InChI

InChI=1S/C8H16O6/c1-3(9)7-5(11)4(10)6(12)8(13-2)14-7/h3-12H,1-2H3/t3-,4-,5-,6-,7+,8-/m0/s1

IUPAC InChI key

PNWOVLBMFHSUMR-IHKZFYOVSA-N
2M5

wwPDB Information

Atom count

30 (14 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

MAN

Defined at

2010-08-16

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned