2CO

S-HYDROPEROXYCYSTEINE

Created:	2007-01-16
Last modified:	2024-09-27

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6 entries where 2CO is found as a standalone ligand13 entries where 2CO is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	1
Bond Count	15
Aromatic Bond Count	0

2D diagram of 2CO

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Chemical Component Summary
Name	S-HYDROPEROXYCYSTEINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-3-hydroperoxysulfanyl-propanoic acid
Formula	C₃ H₇ N O₄ S
Molecular Weight	153.157
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSOO
SMILES	CACTVS	3.341	N[CH](CSOO)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(C(C(=O)O)N)SOO
Canonical SMILES	CACTVS	3.341	N[C@@H](CSOO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C([C@@H](C(=O)O)N)SOO
InChI	InChI	1.03	InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9-8-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey	InChI	1.03	BXTMIEGCNKHUKA-REOHCLBHSA-N

Related Resource References

Resource Name	Reference
PubChem	24978498

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