|
HCS : Summary
Code
|
HCS
|
One-letter code
|
X
|
Molecule name
|
2-AMINO-4-MERCAPTO-BUTYRIC ACID
|
Synonyms
|
L-Homocysteine
|
Systematic names
|
|
Formula
|
C4 H9 N O2 S
|
Formal charge
|
0
|
Molecular weight
|
135.185 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(O)C(N)CCS |
SMILES
|
CACTVS |
3.341 |
N[CH](CCS)C(O)=O |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CS)C(C(=O)O)N |
Canonical SMILES
|
CACTVS |
3.341 |
N[C@@H](CCS)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C(CS)[C@@H](C(=O)O)N |
|
IUPAC InChI | InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1 |
IUPAC InChI key | FFFHZYDWPBMWHY-VKHMYHEASA-N |
Is part of |
WT4
, HCV
|
|
wwPDB Information |
Atom count
|
17 (8 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
L-PEPTIDE LINKING
|
Type code
|
ATOMP
|
Is modified
|
Yes
|
Standard parent
|
UNK
|
Defined at
|
2001-08-14
|
Last modified at
|
2024-02-28
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|