(Q27104854)

inferred from isomeric SMILES

1 February 2021

mass

399.06435858973 dalton

1 reference

based on heuristic

chemical formula

C₁₂H₂₀N₂O₉PS³⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)NC(CS)C(=O)[O-])O

1 reference

4-P-N-pantothenoylcysteine (English)

5 October 2016

isomeric SMILES

CC(C)(COP(=O)([O-])[O-])[C@H](C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-])O

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

4-P-N-pantothenoylcysteine (English)

5 October 2016

1 reference

Identifiers

InChI

InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/p-3/t7-,9-/m0/s1

1 reference

4-P-N-pantothenoylcysteine (English)

XQYALQVLCNHCFT-CBAPKCEASA-K

5 October 2016

InChIKey

2 references

4-P-N-pantothenoylcysteine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(2R)-2-({N-[(2R)-2-Hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanoyl]-beta-alanyl}amino)-3-sulfanylpropanoate (English)

5 October 2016

1 reference

4-P-N-pantothenoylcysteine (English)

5 October 2016

ChEBI ID

59458

mapping relation type

1 reference