EcoDrugPlus


Synonyms	2ccpa Carbacyclic phosphatidic acid
Status
Molecule Category	Free-form
UNII	OXV962AR86

Synonyms

2ccpa

Carbacyclic phosphatidic acid

Status

Molecule Category

Free-form

UNII

OXV962AR86


InChI Key	PUPWWTUVIZOPTB-UHFFFAOYSA-N
Smiles	CCCCCCCCC=CCCCCCCCC(=O)OCC1COP(=O)(O)C1
InChI	InChI=1S/C22H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)26-18-21-19-27-28(24,25)20-21/h9-10,21H,2-8,11-20H2,1H3,(H,24,25)

InChI Key

PUPWWTUVIZOPTB-UHFFFAOYSA-N

Smiles

CCCCCCCCC=CCCCCCCCC(=O)OCC1COP(=O)(O)C1

InChI

InChI=1S/C22H41O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(23)26-18-21-19-27-28(24,25)20-21/h9-10,21H,2-8,11-20H2,1H3,(H,24,25)

Property Name	Value
Molecular Formula	C22H41O5P
Molecular Weight	416.54
AlogP	6.4
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	17.0
Polar Surface Area	72.83
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C22H41O5P

Molecular Weight

416.54

AlogP

6.4

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

17.0

Polar Surface Area

72.83

Molecular species

ACID

Aromatic Rings

0.0

Heavy Atoms

28.0

Resources	Reference
ChEMBL	CHEMBL4594407
FDA SRS	OXV962AR86
PubChem	71528764

Resources

Reference

ChEMBL

CHEMBL4594407

FDA SRS

OXV962AR86

PubChem

71528764

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...

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Last update: Monday, 3 November 2025

CARBACYCLIC PHOSPHATIDIC ACID

Structure

Physicochemical Descriptors

Cross References