Chemical Components in the PDB

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M6P : Summary

Code

M6P

One-letter code

X

Molecule name

6-O-phosphono-alpha-D-mannopyranose

Synonyms

ALPHA-D-MANNOSE-6-PHOSPHATE
6-O-phosphono-alpha-D-mannose
6-O-phosphono-D-mannose
6-O-phosphono-mannose

Systematic names

ProgramVersionName
ACDLabs 10.04 6-O-phosphono-alpha-D-mannopyranose
OpenEye OEToolkits 1.5.0 [(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate

Formula

C6 H13 O9 P

Formal charge

0

Molecular weight

260.136 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
SMILES CACTVS 3.341 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1

IUPAC InChI key

NBSCHQHZLSJFNQ-PQMKYFCFSA-N
M6P

wwPDB Information

Atom count

29 (16 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, alpha linking

Type code

ATOMS

Is modified

Yes

Standard parent

MAN

Defined at

1999-07-08

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned