XYLOSE


Trade Names	XYLO-PFAN XYLOSE
Synonyms	FEMA NO. 3606 NSC-122762 Xylo-pfan Xylose
Status
Molecule Category	UNKNOWN
UNII	A1TA934AKO
EPA CompTox	DTXSID0023745


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	SRBFZHDQGSBBOR-IOVATXLUSA-N
Smiles	OC1OC[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5?/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C5H10O5
Molecular Weight	150.13
AlogP	-2.58
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	0.0
Polar Surface Area	90.15
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Assay Description	Organism	Bioactivity	Reference
Compound was tested for inhibition of Human acrosin by aldopentoses	None	37.0 %

Related Entries

Cross References

Resources	Reference
ChEBI	53455
ChEMBL	CHEMBL502135
DrugCentral	2854
FDA SRS	A1TA934AKO
Human Metabolome Database	HMDB0060254
KEGG	C00181
PubChem	644160
SureChEMBL	SCHEMBL39891

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).