2'-FUCOSYLLACTOSE


Synonyms	2'-fucosyllactose 2'-o-fucosyllactose 2'-o-l-fucosyl-d-lactose Lactose, 2'-o-fucosyl-
Status
Molecule Category	UNKNOWN
UNII	XO2533XO8R
EPA CompTox	DTXSID40194179


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

Structure


InChI Key	HWHQUWQCBPAQQH-BWRPKUOHSA-N
Smiles	C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]([C@H](O)[C@@H](O)C=O)[C@H](O)CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O
InChI	InChI=1S/C18H32O15/c1-5-9(24)12(27)14(29)17(30-5)33-16-13(28)11(26)8(4-21)31-18(16)32-15(7(23)3-20)10(25)6(22)2-19/h2,5-18,20-29H,3-4H2,1H3/t5-,6-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17-,18-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H32O15
Molecular Weight	488.44
AlogP	-6.7
Hydrogen Bond Acceptor	15.0
Hydrogen Bond Donor	10.0
Number of Rotational Bond	10.0
Polar Surface Area	256.29
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	33.0

Related Entries

Cross References

Resources	Reference
ChEMBL	CHEMBL4297252
DrugBank	DB16052
FDA SRS	XO2533XO8R
Human Metabolome Database	HMDB0002098
PubChem	170484
SureChEMBL	SCHEMBL2505859

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).