(Q27125872)

1 February 2021

mass

398.091±0 dalton

1 reference

S-acetylphosphopantotheine (English)

6 October 2016

chemical formula

C₁₃H₂₃N₂O₈PS²⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)([O-])[O-])O

1 reference

S-acetylphosphopantotheine (English)

InChI=1S/C13H25N2O8PS/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)/p-2

6 October 2016

Identifiers

InChI

1 reference

S-acetylphosphopantotheine (English)

AJFWMDFTVVFMHY-UHFFFAOYSA-L

6 October 2016

InChIKey

2 references

S-acetylphosphopantotheine (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[2-(Acetylsulfanyl)ethyl]-N~3~-[2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-beta-alaninamide (English)

6 October 2016

1 reference

S-acetylphosphopantotheine (English)

6 October 2016

ChEBI ID

58555

mapping relation type

1 reference