U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C6H12NO5P
Molecular Weight 209.1369
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CGP-37849, (S)-

SMILES

C\C(CP(O)(O)=O)=C/[C@H](N)C(O)=O

InChI

InChIKey=BDYHNCZIGYIOGJ-FYTLMZHYSA-N
InChI=1S/C6H12NO5P/c1-4(3-13(10,11)12)2-5(7)6(8)9/h2,5H,3,7H2,1H3,(H,8,9)(H2,10,11,12)/b4-2+/t5-/m0/s1

HIDE SMILES / InChI

Molecular Formula C6H12NO5P
Molecular Weight 209.1369
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:01:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:01:44 GMT 2023
Record UNII
O06493J01U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-37849, (S)-
Common Name English
3-PENTENOIC ACID, 2-AMINO-4-METHYL-5-PHOSPHONO-, (S-(E))-
Systematic Name English
CGP-40116, (S)-
Code English
CGP 40117
Code English
CGP-40117
Code English
Code System Code Type Description
CAS
116049-52-6
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY
FDA UNII
O06493J01U
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY
PUBCHEM
88633189
Created by admin on Sat Dec 16 12:01:44 GMT 2023 , Edited by admin on Sat Dec 16 12:01:44 GMT 2023
PRIMARY