Chemical Components in the PDB

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ANC : Summary

Code

ANC

One-letter code

X

Molecule name

ANTHRACEN-1-YLAMINE

Synonyms

AMINOANTHRACENE

Systematic names

ProgramVersionName
ACDLabs 10.04 anthracen-1-amine
OpenEye OEToolkits 1.5.0 anthracen-1-amine

Formula

C14 H11 N

Formal charge

0

Molecular weight

193.244 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 c3cc2cc1cccc(N)c1cc2cc3
SMILES CACTVS 3.341 Nc1cccc2cc3ccccc3cc12
SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc3c(cccc3N)cc2c1
Canonical SMILES CACTVS 3.341 Nc1cccc2cc3ccccc3cc12
Canonical SMILES OpenEye OEToolkits 1.5.0 c1ccc2cc3c(cccc3N)cc2c1

IUPAC InChI

InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2

IUPAC InChI key

YUENFNPLGJCNRB-UHFFFAOYSA-N
ANC

wwPDB Information

Atom count

26 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-12-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned