PVI

(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid

Created:	2022-10-04
Last modified:	2024-09-27

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2 entries where PVI is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	2
Bond Count	23
Aromatic Bond Count	0

2D diagram of PVI

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Chemical Component Summary
Name	(4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
Synonyms	(4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid
Formula	C₇ H₁₁ N O₄
Molecular Weight	173.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1C(C(C(C=C1C(=O)O)N)O)O
Canonical SMILES	CACTVS	3.385	N[C@H]1C=C(C[C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@H]([C@@H](C(C=C1C(=O)O)N)O)O
InChI	InChI	1.06	InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1
InChIKey	InChI	1.06	WPZSUTUAATWRPU-KVQBGUIXSA-N

Related Resource References

Resource Name	Reference
PubChem	4369345
ChEMBL	CHEMBL1794750

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