EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FU65P3692T
EPA CompTox	DTXSID00196750

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FU65P3692T

EPA CompTox

DTXSID00196750


InChI Key	BZUNJUAMQZRJIP-UHFFFAOYSA-N
Smiles	OCCCCCCCCCCCCCCC(=O)[O-]
InChI	InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)

InChI Key

BZUNJUAMQZRJIP-UHFFFAOYSA-N

Smiles

OCCCCCCCCCCCCCCC(=O)[O-]

InChI

InChI=1S/C15H30O3/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15(17)18/h16H,1-14H2,(H,17,18)

Property Name	Value
Molecular Formula	C15H30O3
Molecular Weight	258.22
AlogP	4.13
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	14.0
Polar Surface Area	57.53
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H30O3

Molecular Weight

258.22

AlogP

4.13

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

14.0

Polar Surface Area

57.53

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	4617-33-8
NORMAN SUSDAT
FDA SRS	FU65P3692T
PubChem	78360
ChemSpider	70730.0

Resources

Reference

CAS NUMBER

4617-33-8

NORMAN SUSDAT

FDA SRS

FU65P3692T

PubChem

78360

ChemSpider

70730.0

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

15-HYDROXYPENTADECANOIC ACID

Structure

Physicochemical Descriptors

Cross References