(Q27103065)

D-Pantothenoyl-L-cysteine (English)

5 October 2016

chemical formula

C₁₂H₂₂N₂O₆S

1 reference

D-Pantothenoyl-L-cysteine (English)

20 November 2016

canonical SMILES

CC(C)(CO)C(C(=O)NCCC(=O)NC(CS)C(=O)O)O

1 reference

D-Pantothenoyl-L-cysteine (English)

20 November 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

D-Pantothenoyl-L-cysteine (English)

20 November 2016

2 references

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1

1 reference

D-Pantothenoyl-L-cysteine (English)

20 November 2016

2 references

D-Pantothenoyl-L-cysteine (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

13147-34-7

1 reference

Global Substance Registration System

UNII

8VL63G723P

pantothenoylcysteine (English)

20 November 2016

1 reference

N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl-L-cysteine (English)

20 November 2016

1 reference

D-Pantothenoyl-L-cysteine (English)

20 November 2016

ChEBI ID

18416

mapping relation type

2 references

N-[(R)-pantothenoyl]-L-cysteine (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/t7-,9-/m0/s1

1 reference

1 reference

Human Metabolome Database ID

HMDB0006834

2 references

based on heuristic

inferred from InChIKey

UNII

8VL63G723P

2 references

Global Substance Registration System

UNII

8VL63G723P

pantothenoylcysteine (English)

20 November 2016