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L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine

PropertiesImage
MNX_IDMNXM5804 Image of MNXM5804
referencechebi:61983
formulaC18H30N5O9
global charge-1
mol weight460.464
InChIKeyVFGFFQOPKZHQLZ-RNWYCLNJSA-M
InChIInChI=1S/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/p-1/t8-,9+,10-,11+,12+/m0/s1
SMILESC[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t8-,9+,10-,11+,12+/m0/s1 Image of MNXM5804
SMILES (mnx)[CH3:1][C@@H:8]([C:14](=[N:23][C@H:12]([CH2:6][CH2:7][C:13](=[N:22][C@H:11]([CH2:5][CH2:3][CH2:4][C@@H:10]([C:17](=[O:29])[OH:30])[NH2:20])[C:15](=[N:21][C@H:9]([CH3:2])[C:16](=[O:27])[OH:28])[OH:26])[OH:24])[C:18](=[O:31])[OH:32])[OH:25])[NH2:19]
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

CHEBI:61983
chebi:61983
VFGFFQOPKZHQLZ-RNWYCLNJSA-M 		L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine
(2S,6R)-2-azaniumyl-6-{[(4R)-4-{[(2S)-2-azaniumylpropanoyl]amino}-4-carboxylatobutanoyl]amino}-7-{[(1R)-1-carboxylatoethyl]amino}-7-oxoheptanoate
L-Ala-gamma-D-Glu-Dap-D-Ala anion
L-Ala-gamma-D-Glu-Dap-D-Ala(1-)
L-Ala-gamma-D-Glu-meso-Dap-D-Ala anion
L-Ala-gamma-D-Glu-meso-Dap-D-Ala(1-)

CHEBI:62015
chebi:62015
VFGFFQOPKZHQLZ-RNWYCLNJSA-N 		L-Ala-gamma-D-Glu-meso-Dap-D-Ala
L-Ala-gamma-D-Glu-Dap-D-Ala
L-alanyl-N-[(2R,6S)-6-amino-6-carboxy-1-{[(1R)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-D-glutamine