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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H14NO.C5H6NO3
Molecular Weight 232.2768
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLINE 5-OXOPROLINATE

SMILES

C[N+](C)(C)CCO.[O-]C(=O)[C@@H]1CCC(=O)N1

InChI

InChIKey=BYGUCEMASSQNBH-DFWYDOINSA-M
InChI=1S/C5H7NO3.C5H14NO/c7-4-2-1-3(6-4)5(8)9;1-6(2,3)4-5-7/h3H,1-2H2,(H,6,7)(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1/t3-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C5H13NO
Molecular Weight 103.1628
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C5H7NO3
Molecular Weight 129.114
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:51:52 UTC 2023
Edited
by admin
on Fri Dec 15 19:51:52 UTC 2023
Record UNII
38BRN7U5AG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLINE 5-OXOPROLINATE
Common Name English
PROLINE, 5-OXO-, CHOLINE SALT
Systematic Name English
2-HYDROXYETHYL)TRIMETHYLAMMONIUM 5-OXOPROLINATE
Systematic Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 5-OXOPROLINE (1:1)
Systematic Name English
CHOLINE, SALT WITH 5-OXOPROLINE
Systematic Name English
PROLINE, 5-OXO-, ION(1-), 2-HYDROXY-N,N,N-TRIMETHYLETHANAMINIUM
Systematic Name English
Code System Code Type Description
FDA UNII
38BRN7U5AG
Created by admin on Fri Dec 15 19:51:52 UTC 2023 , Edited by admin on Fri Dec 15 19:51:52 UTC 2023
PRIMARY
CAS
5046-71-9
Created by admin on Fri Dec 15 19:51:52 UTC 2023 , Edited by admin on Fri Dec 15 19:51:52 UTC 2023
PRIMARY
PUBCHEM
6452214
Created by admin on Fri Dec 15 19:51:52 UTC 2023 , Edited by admin on Fri Dec 15 19:51:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID30198489
Created by admin on Fri Dec 15 19:51:52 UTC 2023 , Edited by admin on Fri Dec 15 19:51:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
225-745-0
Created by admin on Fri Dec 15 19:51:52 UTC 2023 , Edited by admin on Fri Dec 15 19:51:52 UTC 2023
PRIMARY