U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C5H14NO.H2O4P
Molecular Weight 201.158
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE DIHYDROGEN PHOSPHATE

SMILES

OP(O)([O-])=O.C[N+](C)(C)CCO

InChI

InChIKey=LPPJNZJBKFSQGA-UHFFFAOYSA-M
InChI=1S/C5H14NO.H3O4P/c1-6(2,3)4-5-7;1-5(2,3)4/h7H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI
Molecular Formula H2O4P
Molecular Weight 96.9872
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C5H14NO
Molecular Weight 104.1708
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:57:06 GMT 2025
Edited
by admin
on Mon Mar 31 19:57:06 GMT 2025
Record UNII
D53S359B6B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE PHOSPHATE
Preferred Name English
CHOLINE DIHYDROGEN PHOSPHATE
Systematic Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1) (SALT)
Systematic Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, PHOSPHATE (1:1)
Systematic Name English
Code System Code Type Description
CHEBI
18132
Created by admin on Mon Mar 31 19:57:06 GMT 2025 , Edited by admin on Mon Mar 31 19:57:06 GMT 2025
PRIMARY
PUBCHEM
150067
Created by admin on Mon Mar 31 19:57:06 GMT 2025 , Edited by admin on Mon Mar 31 19:57:06 GMT 2025
PRIMARY
CAS
83846-92-8
Created by admin on Mon Mar 31 19:57:06 GMT 2025 , Edited by admin on Mon Mar 31 19:57:06 GMT 2025
PRIMARY
FDA UNII
D53S359B6B
Created by admin on Mon Mar 31 19:57:06 GMT 2025 , Edited by admin on Mon Mar 31 19:57:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID00232748
Created by admin on Mon Mar 31 19:57:06 GMT 2025 , Edited by admin on Mon Mar 31 19:57:06 GMT 2025
PRIMARY
ECHA (EC/EINECS)
281-072-2
Created by admin on Mon Mar 31 19:57:06 GMT 2025 , Edited by admin on Mon Mar 31 19:57:06 GMT 2025
PRIMARY
Related Record Type Details
Structure of CHOLINE
PARENT -> SALT/SOLVATE
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966