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L-alanin-3-yl L-histidin-5-yl sulfoxide

MNXM146404 is deprecated and replaced by MNXM1100963
PropertiesImage
MNX_IDMNXM1100963 Image of MNXM1100963
referencechebi:82728
formulaC9H14N4O5S
global charge0
mol weight290.301
InChIKeyCHVJBWUZNCGHCS-VCNVLXLASA-N
InChIInChI=1S/C9H14N4O5S/c10-4(8(14)15)1-6-7(13-3-12-6)19(18)2-5(11)9(16)17/h3-5H,1-2,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,19?/m0/s1
SMILES[NH3+][C@@H](CC1=C(S(=O)C[C@H]([NH3+])C(=O)[O-])NC=N1)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C9H14N4O5S/c10-4(8(14)15)1-6-7(13-3-12-6)19(18)2-5(11)9(16)17/h3-5H,1-2,10-11H2,(H,12,13)(H,14,15)(H,16,17)/t4-,5-,19?/m0/s1 Image of MNXM1100963
SMILES (mnx)[CH2:1]([C@@H:4]([C:8](=[O:14])[OH:15])[NH2:10])[C:6]1=[C:7]([S:19]([CH2:2][C@@H:5]([C:9](=[O:16])[OH:17])[NH2:11])=[O:18])[NH:13][CH:3]=[N:12]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:82728
chebi:82728
CHVJBWUZNCGHCS-VCNVLXLASA-N 		L-alanin-3-yl L-histidin-5-yl sulfoxide
(2R)-2-azaniumyl-3-({4-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-5-yl}sulfinyl)propanoate
S-(5-L-histidyl)-L-cysteine sulfoxide dizwitterion
S-(5-histidyl)cysteine sulfoxide dizwitterion

metacyc.compound:CPD-17029
metacycM:CPD-17029
seed.compound:cpd36007
seedM:cpd36007
CHVJBWUZNCGHCS-VCNVLXLASA-N 		L-alanin-3-yl L-histidin-5-yl S-oxide
L-alanin-3-yl L-histidin-5-yl sulfoxide

CHEBI:83418
chebi:83418
CHVJBWUZNCGHCS-VCNVLXLASA-N 		S-(5-histidyl)cysteine sulfoxide
5-{[(2R)-2-amino-2-carboxyethyl]sulfinyl}-L-histidine
S-(5-L-histidyl)-L-cysteine sulfoxide

kegg.compound:C20993
keggC:C20993
CHVJBWUZNCGHCS-VCNVLXLASA-N 		S-(L-Histidin-5-yl)-L-cysteine S-oxide

keggC:M_C20993
seedM:M_cpd36007 		secondary/obsolete/fantasy identifier