Chemical Components in the PDB

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ANM : Summary

Code

ANM

One-letter code

X

Molecule name

ANISOMYCIN

Systematic names

ProgramVersionName
ACDLabs 10.04 (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate
OpenEye OEToolkits 1.5.0 [(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] ethanoate

Formula

C14 H19 N O4

Formal charge

0

Molecular weight

265.305 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C
SMILES CACTVS 3.341 COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1
SMILES OpenEye OEToolkits 1.5.0 CC(=O)OC1C(CNC1Cc2ccc(cc2)OC)O
Canonical SMILES CACTVS 3.341 COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O

IUPAC InChI

InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1

IUPAC InChI key

YKJYKKNCCRKFSL-RDBSUJKOSA-N
ANM

wwPDB Information

Atom count

38 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAD

Is modified

No

Standard parent

Not Assigned

Defined at

2001-10-30

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned