Molecule

(R)-S-lactoylglutathionate(1-)

AlkaPlorer ID: AK001045

Synonym: '(R)-S-lactoylglutathione', 'S-Lactoylglutathione', '(R)-S-Lactoylglutathione', '(R)-S-lactoylglutathionate anion', 'S-lactoylglutathione', 'S-D-Lactoylglutathione'

IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2R)-2-hydroxypropanoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Structure

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

InChI: InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1

InChIKey: VDYDCVUWILIYQF-CSMHCCOUSA-N

Reference

Brain metabolomic profiling of eastern honey bee (Apis cerana) infested with the mite Varroa destructor

PubChem CID: 440018

LOTUS: LTS0012168

NPASS: NPC320022

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Apis cerana	Apis	Apidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 379.3910000000001

TPSA？: 203.1

MolLogP？: -0.814699999999998

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002202	CC(=O)C(O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	enzymemap_86347
AKRT002209	CC(=O)C=O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	GLYOXI-RXN
AKRT012831	C[C@@H](O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	enzymemap_54923
AKRT012832	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>CC(=O)C=O	R02530
AKRT012833	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>CC(=O)C=O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O	None
AKRT012834	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>CC(O)C(=O)O	MNXR137260
AKRT012835	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>CC(O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O	None
AKRT012836	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>C[C@@H](O)C(=O)O	GLYOXII-RXN
AKRT012837	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>C[C@@H](O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O	None
AKRT012838	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>C[C@H](O)C(=O)O	MNXR157860
AKRT012839	C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O>>N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O	GLYOXII-RXN