![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
HT5 : Summary
Code ![](/pdbe/static/images/help.png)
|
HT5
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
(4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C14 H25 N O2 S
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
271.419 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(NC1C(O)=[S+]CC1)CCCCCCCCC |
SMILES
|
CACTVS |
3.385 |
CCCCCCCCCC(=O)N[CH]1CCSC1=O |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCCCCCCCCC(=O)NC1CCSC1=O |
Canonical SMILES
|
CACTVS |
3.385 |
CCCCCCCCCC(=O)N[C@H]1CCSC1=O |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCCCCCCCCC(=O)N[C@H]1CCSC1=O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | PZUMIWRJDZWNPN-LBPRGKRZSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
43 (18 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
non-polymer
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2007-09-19
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-01-14
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|