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Summary

Name:	S-[S-THIOPYRIDOXAMINYL]CYSTEINE
Formula:	C11 H17 N3 O3 S2
Formal charge:	0
Formula weight:	303.401 Da
Component type:	L-PEPTIDE LINKING

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	3-({[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl}disulfanyl)-L-alanine
OpenEye OEToolkits	1.5.0	(2R)-2-amino-3-[[4-(aminomethyl)-5-hydroxy-6-methyl-pyridin-3-yl]methyldisulfanyl]propanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CSSCc1cnc(c(O)c1CN)C
SMILES_CANONICAL	CACTVS	3.341	Cc1ncc(CSSC[C@H](N)C(O)=O)c(CN)c1O
SMILES	CACTVS	3.341	Cc1ncc(CSSC[CH](N)C(O)=O)c(CN)c1O
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)CSSC[C@@H](C(=O)O)N)CN)O
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c(c(cn1)CSSCC(C(=O)O)N)CN)O
InChI	InChI	1.03	InChI=1S/C11H17N3O3S2/c1-6-10(15)8(2-12)7(3-14-6)4-18-19-5-9(13)11(16)17/h3,9,15H,2,4-5,12-13H2,1H3,(H,16,17)/t9-/m0/s1
InChIKey	InChI	1.03	GNMYVMXAEUCEOO-VIFPVBQESA-N

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PDB entries from 2024-07-10

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