Chemical Components in the PDB

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GM0 : Summary

Code

GM0

One-letter code

X

Molecule name

4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose

Systematic names

ProgramVersionName
ACDLabs 12.01 4-O-phosphono-L-glycero-alpha-D-manno-heptopyranose
OpenEye OEToolkits 1.7.6 [2-[1,2-bis(oxidanyl)ethyl]-4,5,6-tris(oxidanyl)oxan-3-yl] dihydrogen phosphate

Formula

C7 H15 O10 P

Formal charge

0

Molecular weight

290.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
SMILES CACTVS 3.370 OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O[P](O)(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C(C(C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3+,4-,5+,6-,7-/m0/s1

IUPAC InChI key

JDFMKMOMBHLESC-OPTWKVKHSA-N
GM0

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

GMH

Defined at

2012-07-05

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned