Chemical Components in the PDB

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ZM1 : Summary

Code

ZM1

One-letter code

X

Molecule name

2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose

Systematic names

ProgramVersionName
ACDLabs 12.01 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose
OpenEye OEToolkits 2.0.7 [(3~{R},4~{R},5~{S})-5-acetamido-3,4-bis(oxidanyl)-6-oxidanylidene-hexyl] dihydrogen phosphate

Formula

C8 H16 N O8 P

Formal charge

0

Molecular weight

285.188 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O
SMILES CACTVS 3.385 CC(=O)N[CH](C=O)[CH](O)[CH](O)CCO[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)NC(C=O)C(C(CCOP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 CC(=O)N[C@H](C=O)[C@@H](O)[C@H](O)CCO[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C8H16NO8P/c1-5(11)9-6(4-10)8(13)7(12)2-3-17-18(14,15)16/h4,6-8,12-13H,2-3H2,1H3,(H,9,11)(H2,14,15,16)/t6-,7-,8-/m1/s1

IUPAC InChI key

SJEDNRVDWMBCDP-BWZBUEFSSA-N
ZM1

wwPDB Information

Atom count

34 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-05-06

Last modified at

2022-04-15

Status

Released

Obsoleted

Not Assigned