EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7IPP3U0F3I
EPA CompTox	DTXSID6060133

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7IPP3U0F3I

EPA CompTox

DTXSID6060133


InChI Key	UGAGPNKCDRTDHP-UHFFFAOYSA-N
Smiles	C(CCCCCCCC(=O)O)CCCCCCCO
InChI	InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)

InChI Key

UGAGPNKCDRTDHP-UHFFFAOYSA-N

Smiles

C(CCCCCCCC(=O)O)CCCCCCCO

InChI

InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)

Property Name	Value
Molecular Formula	C16H32O3
Molecular Weight	272.24
AlogP	4.52
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	57.53
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H32O3

Molecular Weight

272.24

AlogP

4.52

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

57.53

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	506-13-8
NORMAN SUSDAT
FDA SRS	7IPP3U0F3I
PubChem	10466
ChemSpider	10034.0

Resources

Reference

CAS NUMBER

506-13-8

NORMAN SUSDAT

FDA SRS

7IPP3U0F3I

PubChem

10466

ChemSpider

10034.0

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

16-HYDROXYPALMITIC ACID

Structure

Physicochemical Descriptors

Cross References