SHF

LAEVULINIC ACID

Created:	1999-07-08
Last modified:	2024-09-27

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2 entries where SHF is found as a standalone ligand6 entries where SHF is covalently linked to polymer or other heterogen groups

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

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Chemical Component Summary
Name	LAEVULINIC ACID
Synonyms	LEVULINIC ACID
Systematic Name (OpenEye OEToolkits)	4-oxidanylidenepentanoic acid
Formula	C₅ H₈ O₃
Molecular Weight	116.115
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C)CCC(=O)O
SMILES	CACTVS	3.370	CC(=O)CCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)CCC(=O)O
Canonical SMILES	CACTVS	3.370	CC(=O)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey	InChI	1.03	JOOXCMJARBKPKM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02239
Name	Laevulinic Acid
Groups	experimental
Synonyms	Laevulinic Acid
Brand Names	Purus antibacterial wipes
CAS number	123-76-2

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Delta-aminolevulinic acid dehydratase	MQPQSVLHSGYFHPLLRAWQTATTTLNASNLIYPIFVTDVPDDIQPITSL...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682