CGV Ligand Summary Page - RCSB PDB

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229,380 Structures from the PDB 1,068,577 Computed Structure Models (CSM)

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Data API CGV

S-[(R)-carboxy(hydroxy)methyl]-L-cysteine

Created:	2014-01-22
Last modified:	2024-09-27

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3 entries where CGV is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	2
Bond Count	20
Aromatic Bond Count	0

Toggle HydrogenToggle Labels

Chemical Component Summary
Name	S-[(R)-carboxy(hydroxy)methyl]-L-cysteine
Systematic Name (OpenEye OEToolkits)	(2R)-2-azanyl-3-[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid
Formula	C5 H9 N O5 S
Molecular Weight	195.194
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(O)SCC(C(=O)O)N
SMILES	CACTVS	3.385	N[CH](CS[CH](O)C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(C(C(=O)O)N)SC(C(=O)O)O
Canonical SMILES	CACTVS	3.385	N[C@@H](CS[C@@H](O)C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O
InChI	InChI	1.03	InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1
InChIKey	InChI	1.03	ROTCVIARKSMYOM-JLAZNSOCSA-N

Related Resource References

Resource Name	Reference
PubChem	137349095

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