Chemical Components in the PDB

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17U : Summary

Code

17U

One-letter code

X

Molecule name

(3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S,4S)-4-amino-2,6-dimethylhept-1-en-3-ol
OpenEye OEToolkits 1.7.6 (3S,4S)-4-azanyl-2,6-dimethyl-hept-1-en-3-ol

Formula

C9 H19 N O

Formal charge

0

Molecular weight

157.253 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC(C(=C)\C)C(N)CC(C)C
SMILES CACTVS 3.370 CC(C)C[CH](N)[CH](O)C(C)=C
SMILES OpenEye OEToolkits 1.7.6 CC(C)CC(C(C(=C)C)O)N
Canonical SMILES CACTVS 3.370 CC(C)C[C@H](N)[C@@H](O)C(C)=C
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(C)C[C@@H]([C@H](C(=C)C)O)N

IUPAC InChI

InChI=1S/C9H19NO/c1-6(2)5-8(10)9(11)7(3)4/h6,8-9,11H,3,5,10H2,1-2,4H3/t8-,9-/m0/s1

IUPAC InChI key

OCYCPKJWRSNASS-IUCAKERBSA-N

Is part of

ONK
17U

wwPDB Information

Atom count

30 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2012-10-28

Last modified at

2014-01-24

Status

Released

Obsoleted

Not Assigned