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C11H19N3O7S
APtclcactv08042321322D 0   0.00000     0.00000
 
 41 40  0  0  1  0  0  0  0  0999 V2000
    4.2690    1.4050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5991    0.9050    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7331   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    2.0250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -2.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9292    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4662    1.0950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331   -0.5950    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.7150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9451   -2.1776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3437   -1.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8112   -0.6776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2097    0.0127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7365    0.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5335    0.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5957    1.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7987    1.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996    1.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6025    1.8799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3 29  1  0  0  0  0
  4 29  1  0  0  0  0
  3 17  1  0  0  0  0
  8 17  1  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 21  1  0  0  0  0
 19 25  1  0  0  0  0
 13 20  2  0  0  0  0
 14 21  2  0  0  0  0
 15 22  2  0  0  0  0
 16 23  2  0  0  0  0
  2 27  1  6  0  0  0
 23 27  1  0  0  0  0
  9 27  1  0  0  0  0
  6 28  1  0  0  0  0
 22 28  1  0  0  0  0
 10 28  1  0  0  0  0
  1 26  1  1  0  0  0
 11 26  1  0  0  0  0
 12 26  1  0  0  0  0
  1  5  1  0  0  0  0
  1 20  1  0  0  0  0
  1 30  1  0  0  0  0
  2  4  1  0  0  0  0
  2 22  1  0  0  0  0
  2 31  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  7  1  0  0  0  0
  5 36  1  0  0  0  0
  5 37  1  0  0  0  0
  6 21  1  0  0  0  0
  6 38  1  0  0  0  0
  6 39  1  0  0  0  0
  7 23  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
M  END
$$$$

MOL SMILES InChIKey

Compound Description

An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a hydroxymethyl group.

Identification

IUPAC Names

L-gamma-glutamyl-S-(hydroxymethyl)-L-cysteinylglycine

Molecular Formula

C11H19N3O7S

Mass

337.35058

Monoisotopic Mass

337.09437

Charge

InChI

InChI=1S/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/t6-,7-/m0/s1

InChIKey

PIUSLWSYOYFRFR-BQBZGAKWSA-N

SMILES

N[C@@H](CCC(=O)N[C@@H](CSCO)C(=O)NCC(O)=O)C(O)=O

Synonyms

S-(Hydroxymethyl)glutathione

S-hydroxymethylglutathione

Species

mus musculus

NCBI:txid10090 19425150

escherichia coli

NCBI:txid562 21988831

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MTBLC48926: S-(hydroxymethyl)glutathione

An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a hydroxymethyl group.

Identification

Species

Europe PubMed Central results

Connect to another EMBL location

MTBLC48926: S-(hydroxymethyl)glutathione

An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a hydroxymethyl group.

Identification

Species

Europe PubMed Central results