EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	L6M5K07PRP
EPA CompTox	DTXSID701021246

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

L6M5K07PRP

EPA CompTox

DTXSID701021246


InChI Key	CKGLIVPMTMQFHL-HNENSFHCSA-N
Smiles	CCCCCCCCC=C/CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC
InChI	InChI=1S/C34H66O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-34(35)36-32-33(29-26-12-9-6-3)30-27-24-14-11-8-5-2/h18-19,33H,4-17,20-32H2,1-3H3/b19-18-

InChI Key

CKGLIVPMTMQFHL-HNENSFHCSA-N

Smiles

CCCCCCCCC=C/CCCCCCCC(=O)OCC(CCCCCC)CCCCCCCC

InChI

InChI=1S/C34H66O2/c1-4-7-10-13-15-16-17-18-19-20-21-22-23-25-28-31-34(35)36-32-33(29-26-12-9-6-3)30-27-24-14-11-8-5-2/h18-19,33H,4-17,20-32H2,1-3H3/b19-18-

Property Name	Value
Molecular Formula	C34H66O2
Molecular Weight	506.51
AlogP	11.9
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	29.0
Polar Surface Area	26.3
Heavy Atoms	36.0

Property Name

Value

Molecular Formula

C34H66O2

Molecular Weight

506.51

AlogP

11.9

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

29.0

Polar Surface Area

26.3

Heavy Atoms

36.0

Resources	Reference
CAS NUMBER	94278-07-6
NORMAN SUSDAT
FDA SRS	L6M5K07PRP
PubChem	6433037
ChemSpider	4938229.0

Resources

Reference

CAS NUMBER

94278-07-6

NORMAN SUSDAT

FDA SRS

L6M5K07PRP

PubChem

6433037

ChemSpider

4938229.0

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

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Structure

Physicochemical Descriptors

Cross References