Molecule

S-methyl-glutathione

AlkaPlorer ID: AK043755

Synonym: None

IUPAC Name: None

Structure

SMILES: CSC[C@H](N=C([O-])CC[C@H](N)C(=O)O)C(O)=NCC(=O)O

InChI: InChI=1S/C11H19N3O6S/c1-21-5-7(10(18)13-4-9(16)17)14-8(15)3-2-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1

InChIKey: QTQDDTSVRVWHMO-BQBZGAKWSA-M

Reference

PubChem CID: 25200497

SuperNatural Ⅲ: SN0314883-02

NPASS: NPC129497

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bos taurus	Bos	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota
Bubalus bubalis	Bubalus	Bovidae	Artiodactyla	Mammalia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 320.34700000000004

TPSA？: 168.62999999999997

MolLogP？: -1.289999999999997

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Glyoxalase I	Ki	4168693.83	nM	10.1021/jm00402a025
None	Unchecked	Relative activity	100.0	None	10.1021/jm00351a003

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT000492	*C.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	RXN-16203
AKRT006980	CC1=C2[N+]3=C(C=C4[N+]5=C(C(C)=C6N7[C@@H]8[C@H](CC(N)=O)[C@@]6(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)n6c[n+](c9cc(C)c(C)cc96)[Co-3]753(C)[N+]3=C1[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]83C)[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	63132
AKRT012601	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O.NCCCCNCCCN>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCN	enzymemap_90253
AKRT012602	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>CSC[C@H](N)C(=O)NCC(=O)O	RXN-19608
AKRT012603	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O	RXN-16202
AKRT012604	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>NCC(=O)O	RXN-16202
AKRT012605	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>N[C@@H](CCC(=O)O)C(=O)O	RXN-19608
AKRT012606	CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O.NCC(=O)O>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	enzymemap_90643
AKRT014668	C[SAH].N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	RXN-19922