EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	GJ372F94WZ

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

GJ372F94WZ


InChI Key	DZSDDKNXMARQMJ-AVXYAQEDSA-N
Smiles	CC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O
InChI	InChI=1S/C17H32N2O6S/c1-5-9-6-10(19(3)7-9)16(24)18-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-4/h8-15,17,20-23H,5-7H2,1-4H3,(H,18,24)/t8-,9-,10+,11-,12+,13-,14-,15-,17-/m1/s1

InChI Key

DZSDDKNXMARQMJ-AVXYAQEDSA-N

Smiles

CC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O

InChI

InChI=1S/C17H32N2O6S/c1-5-9-6-10(19(3)7-9)16(24)18-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-4/h8-15,17,20-23H,5-7H2,1-4H3,(H,18,24)/t8-,9-,10+,11-,12+,13-,14-,15-,17-/m1/s1

Property Name	Value
Molecular Formula	C17H32N2O6S1
Molecular Weight	392.2
AlogP	-0.41
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	6.0
Polar Surface Area	125.98
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C17H32N2O6S1

Molecular Weight

392.2

AlogP

-0.41

Hydrogen Bond Acceptor

8.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

6.0

Polar Surface Area

125.98

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	2520-24-3
NORMAN SUSDAT
FDA SRS	GJ372F94WZ
PubChem	20055410
ChemSpider	16736794.0

Resources

Reference

CAS NUMBER

2520-24-3

NORMAN SUSDAT

FDA SRS

GJ372F94WZ

PubChem

20055410

ChemSpider

16736794.0

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

LINCOMYCIN B

Structure

Physicochemical Descriptors

Cross References