PAZ

N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine

Created:	2007-12-05
Last modified:	2011-06-04

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5 entries where PAZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	1
Bond Count	36
Aromatic Bond Count	0

2D diagram of PAZ

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Chemical Component Summary
Name	N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
Systematic Name (OpenEye OEToolkits)	3-[[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoic acid
Formula	C₉ H₁₈ N O₈ P
Molecular Weight	299.215
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=P(OCC(C(O)C(=O)NCCC(=O)O)(C)C)(O)O
SMILES	CACTVS	3.341	CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O
Canonical SMILES	CACTVS	3.341	CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O
InChI	InChI	1.03	InChI=1S/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)/t7-/m0/s1
InChIKey	InChI	1.03	XHFVGHPGDLDEQO-ZETCQYMHSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB16966
Name	Phosphopantothenic acid
Groups	experimental
Synonyms	.beta.-alanine, n-((2r)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)- 4'-phospho-d-pantothenic acid Pantothenate phosphate Pantothenic acid, 4'-(dihydrogen phosphate) Phosphopantothenic acid D-pantothenic acid 4'-phosphate 4'-phosphopantothenic acid
Categories	Alanine Amino Acids Amino Acids, Peptides, and Proteins Imides
CAS number	5875-50-3

Related Resource References

Resource Name	Reference
PubChem	41635
ChEBI	CHEBI:15905

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.