EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	YVE187NJ1U
EPA CompTox	DTXSID4037166

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

YVE187NJ1U

EPA CompTox

DTXSID4037166


InChI Key	DUYSYHSSBDVJSM-KRWOKUGFSA-N
Smiles	CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)N)O
InChI	InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1

InChI Key

DUYSYHSSBDVJSM-KRWOKUGFSA-N

Smiles

CCCCCCCCCCCCC/C=C/C(C(COP(=O)(O)O)N)O

InChI

InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1

Property Name	Value
Molecular Formula	C18H38N1O5P1
Molecular Weight	379.25
AlogP	4.04
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	17.0
Polar Surface Area	113.01
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C18H38N1O5P1

Molecular Weight

379.25

AlogP

4.04

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

17.0

Polar Surface Area

113.01

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	26993-39-5
NORMAN SUSDAT
FDA SRS	YVE187NJ1U
ChemSpider	4446673.0

Resources

Reference

CAS NUMBER

26993-39-5

NORMAN SUSDAT

FDA SRS

YVE187NJ1U

ChemSpider

4446673.0

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

SPHINGOSINE 1-PHOSPHATE

Structure

Physicochemical Descriptors

Cross References