2WP

S-ribosylhomocysteine

Created:	2014-03-13
Last modified:	2020-07-17

Find Related PDB Entry
2 entries where 2WP is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	5
Bond Count	34
Aromatic Bond Count	0

2D diagram of 2WP

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	S-ribosylhomocysteine
Synonyms	(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-4-[[(2S,3S,4R,5S)-3,4,5-tris(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
Formula	C₉ H₁₇ N O₆ S
Molecular Weight	267.299
Type	D-SACCHARIDE, ALPHA LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CCSCC1OC(O)C(O)C1O
SMILES	CACTVS	3.385	N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](CCSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1
InChIKey	InChI	1.03	IQFWYNFDWRYSRA-LYNCRYNASA-N

Related Resource References

Resource Name	Reference
PubChem	73330348

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.