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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H23N2O8PS.Ca
Molecular Weight 438.447
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM S-ACETYL-(S)-4'-PHOSPHOPANTETHEINE

SMILES

[Ca++].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])([O-])=O

InChI

InChIKey=MKTUNSQHZKSWOR-MERQFXBCSA-L
InChI=1S/C13H25N2O8PS.Ca/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22;/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22);/q;+2/p-2/t11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H23N2O8PS
Molecular Weight 398.369
Charge -2
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 Sat Dec 16 13:43:02 GMT 2023
Edited
by admin
on Sat Dec 16 13:43:02 GMT 2023
Record UNII
JKJ8V73YC9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM S-ACETYL-(S)-4'-PHOSPHOPANTETHEINE
Common Name English
S-ACETYL-(S)-4'-PHOSPHOPANTETHEINE, CALCIUM SALT
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/16/1654
Created by admin on Sat Dec 16 13:43:02 GMT 2023 , Edited by admin on Sat Dec 16 13:43:02 GMT 2023
Code System Code Type Description
PUBCHEM
162624013
Created by admin on Sat Dec 16 13:43:02 GMT 2023 , Edited by admin on Sat Dec 16 13:43:02 GMT 2023
PRIMARY
FDA UNII
JKJ8V73YC9
Created by admin on Sat Dec 16 13:43:02 GMT 2023 , Edited by admin on Sat Dec 16 13:43:02 GMT 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY