3HL

(3S)-3-HYDROXYBUTANOIC ACID

Created:	2007-02-15
Last modified:	2024-09-27

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4 entries where 3HL is found as a standalone ligand1 entries where 3HL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	1
Bond Count	14
Aromatic Bond Count	0

2D diagram of 3HL

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Chemical Component Summary
Name	(3S)-3-HYDROXYBUTANOIC ACID
Systematic Name (OpenEye OEToolkits)	(3S)-3-hydroxybutanoic acid
Formula	C₄ H₈ O₃
Molecular Weight	104.105
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CC(O)C
SMILES	CACTVS	3.341	C[CH](O)CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(CC(=O)O)O
Canonical SMILES	CACTVS	3.341	C[C@H](O)CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H](CC(=O)O)O
InChI	InChI	1.03	InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey	InChI	1.03	WHBMMWSBFZVSSR-VKHMYHEASA-N

Related Resource References

Resource Name	Reference
PubChem	94318
ChEMBL	CHEMBL1162497
ChEBI	CHEBI:17290

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