Chemical Components in the PDB

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IYV : Summary

Code

IYV

One-letter code

X

Molecule name

(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-[(1~{R},2~{R})-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol

Formula

C9 H19 N O5 S

Formal charge

0

Molecular weight

253.316 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.7 CC(C(C1C(C(C(C(O1)SC)O)O)O)N)O
Canonical SMILES CACTVS 3.385 CS[C@H]1O[C@H]([C@H](N)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)N)O

IUPAC InChI

InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1

IUPAC InChI key

AEEIMWYSDWZKAT-HJTGYUAHSA-N
IYV

wwPDB Information

Atom count

35 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-04

Last modified at

2023-07-28

Status

Released

Obsoleted

Not Assigned