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(Ac)2-L-Lys-D-Ala-D-Ala

MNXM50295 is deprecated and here replaced by MNXM1369049
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1369049 Image of MNXM1369049
referencechebi:270
formulaC16H28N4O6
global charge0
mol weight372.422
InChIKeyVIHGYLJIMMKSBR-BREBYQMCSA-N
InChIInChI=1S/C16H28N4O6/c1-9(14(23)19-10(2)16(25)26)18-15(24)13(20-12(4)22)7-5-6-8-17-11(3)21/h9-10,13H,5-8H2,1-4H3,(H,17,21)(H,18,24)(H,19,23)(H,20,22)(H,25,26)/t9-,10-,13+/m1/s1
SMILESCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O
MNX internals
InChI (mnx)InChI=1/C16H28N4O6/c1-9(14(23)19-10(2)16(25)26)18-15(24)13(20-12(4)22)7-5-6-8-17-11(3)21/h9-10,13H,5-8H2,1-4H3,(H,17,21)(H,18,24)(H,19,23)(H,20,22)(H,25,26)/t9-,10-,13+/m1/s1 Image of MNXM1369049
SMILES (mnx)[CH3:1][C@H:9]([C:14](=[N:19][C@H:10]([CH3:2])[C:16](=[O:25])[OH:26])[OH:23])[N:18]=[C:15]([C@H:13]([CH2:7][CH2:5][CH2:6][CH2:8][N:17]=[C:11]([CH3:3])[OH:21])[N:20]=[C:12]([CH3:4])[OH:22])[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

seed.compound:cpd02115
seedM:cpd02115
sabiork.compound:6553
sabiorkM:6553
CHEBI:270
chebi:270
kegg.compound:C03326
keggC:C03326
VIHGYLJIMMKSBR-BREBYQMCSA-M
VIHGYLJIMMKSBR-BREBYQMCSA-N 		(Ac)2-L-Lys-D-Ala-D-Ala
(Ac)2-L-lysyl-D-alanyl-D-alanine

metacyc.compound:CPD0-1965
metacycM:CPD0-1965
VIHGYLJIMMKSBR-BREBYQMCSA-M 		Nalpha,Nepsilon-diacetyl-lysyl-D-alanyl-D-alanine
Ac2-Lys-Ala-Ala
Ac2-Lys-D-Ala-D-Ala
diacetyl-lysyl-D-alanyl-D-alanine

seed.compound:cpd26367
seedM:cpd26367
VIHGYLJIMMKSBR-BREBYQMCSA-M 		diacetyl-L-lys-D-ala-D-ala
Ac2-Lys-Ala-Ala
Ac2-Lys-D-Ala-D-Ala
Nalpha,Nepsilon-diacetyl-lysyl-D-alanyl-D-alanine
diacetyl-lysyl-D-alanyl-D-alanine

keggC:M_C03326
seedM:M_cpd02115
seedM:M_cpd26367 		secondary/obsolete/fantasy identifier