ISDA: 8DJZ

Structural Complex

Chemical ID: SJ3

IUPAC Name: (4R)-4-hydroxypentanoic acid

Formal Charge: 0

Type: non-polymer

Physiochemical Descriptor:

Formula: C5 H10 O3

Molecular weight: 118.131

Hydrogen Bond Acceptor: 3

Hydrogen Bond Donor: 2

Rotatable Bonds: 5

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	(4R)-4-hydroxypentanoic acid
OpenEye OEToolkits	2.0.7	(4~{R})-4-oxidanylpentanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCC(C)O
InChI	InChI	1.06	InChI=1S/C5H10O3/c1-4(6)2-3-5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey	InChI	1.06	FMHKPLXYWVCLME-SCSAIBSYSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H](O)CCC(O)=O
SMILES	CACTVS	3.385	C[CH](O)CCC(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	C[C@H](CCC(=O)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(CCC(=O)O)O

Chemical Database Mapping

Database	Reference ID
PubChem	51418995
ChEBI	79019
ZINC	ZINC000006036206
SureChEMBL	SCHEMBL265217