EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	135FQ40L36
EPA CompTox	DTXSID801024548

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

135FQ40L36

EPA CompTox

DTXSID801024548


InChI Key	UUVIQYKKKBJYJT-UHFFFAOYSA-N
Smiles	C[S](=O)(=O)OCC(O[S](C)(=O)=O)C(O)C(O)C(CO[S](C)(=O)=O)O[S](C)(=O)=O
InChI	InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3

InChI Key

UUVIQYKKKBJYJT-UHFFFAOYSA-N

Smiles

C[S](=O)(=O)OCC(O[S](C)(=O)=O)C(O)C(O)C(CO[S](C)(=O)=O)O[S](C)(=O)=O

InChI

InChI=1S/C10H22O14S4/c1-25(13,14)21-5-7(23-27(3,17)18)9(11)10(12)8(24-28(4,19)20)6-22-26(2,15)16/h7-12H,5-6H2,1-4H3

Property Name	Value
Molecular Formula	C10H22O14S4
Molecular Weight	493.99
AlogP	-3.65
Hydrogen Bond Acceptor	14.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	213.94
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C10H22O14S4

Molecular Weight

493.99

AlogP

-3.65

Hydrogen Bond Acceptor

14.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

213.94

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	7518-35-6
NORMAN SUSDAT
FDA SRS	135FQ40L36

Resources

Reference

CAS NUMBER

7518-35-6

NORMAN SUSDAT

FDA SRS

135FQ40L36

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MANNOSULFAN

Structure

Physicochemical Descriptors

Cross References