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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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

MNXM73210 is deprecated and here replaced by MNXM737733
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM737733
reference	metacycM:CPD0-1085
formula	C₂₁H₃₅N₆O₁₀
global charge	-1
mol weight	531.543
InChIKey	RALYHMDCAUUMJL-BPKMXRTBSA-M
InChI	InChI=1S/C21H36N6O10/c1-9(22)16(29)27-14(21(36)37)7-8-15(28)26-13(6-4-5-12(23)20(34)35)18(31)24-10(2)17(30)25-11(3)19(32)33/h9-14H,4-8,22-23H2,1-3H3,(H,24,31)(H,25,30)(H,26,28)(H,27,29)(H,32,33)(H,34,35)(H,36,37)/p-1/t9-,10+,11+,12+,13-,14+/m0/s1
SMILES	C[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)N[C@H](C)C(=O)[O-])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C21H36N6O10/c1-9(22)16(29)27-14(21(36)37)7-8-15(28)26-13(6-4-5-12(23)20(34)35)18(31)24-10(2)17(30)25-11(3)19(32)33/h9-14H,4-8,22-23H2,1-3H3,(H,24,31)(H,25,30)(H,26,28)(H,27,29)(H,32,33)(H,34,35)(H,36,37)/t9-,10+,11+,12+,13-,14+/m0/s1
SMILES (mnx)	[CH3:1][C@@H:9]([C:16](=[N:27][C@H:14]([CH2:7][CH2:8][C:15](=[N:26][C@@H:13]([CH2:6][CH2:4][CH2:5][C@H:12]([C:20](=[O:34])[OH:35])[NH2:23])[C:18](=[N:24][C@H:10]([CH3:2])[C:17](=[N:25][C@H:11]([CH3:3])[C:19](=[O:32])[OH:33])[OH:30])[OH:31])[OH:28])[C:21](=[O:36])[OH:37])[OH:29])[NH2:22]

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
Identifier	Description
metacyc.compound:CPD0-1085 metacycM:CPD0-1085 RALYHMDCAUUMJL-BPKMXRTBSA-M	L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine L-Ala-gamma-D-Glu-meso-A2pm-D-Ala-D-Ala L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanine pentapeptide
seed.compound:cpd25968 seedM:cpd25968 RALYHMDCAUUMJL-BPKMXRTBSA-M	L-Ala-D-Glu-meso-A2pm-D-Ala-D-Ala L-Ala-gamma-D-Glu-meso-A2pm-D-Ala-D-Ala L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanine L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine
seed.compound:cpd22496 seedM:cpd22496 RALYHMDCAUUMJL-BPKMXRTBSA-M	L-alanyl-D-glutamyl-meso-2,6-diaminoheptane-D-alanyl-D-alanine pentapeptide
seedM:M_cpd22496 seedM:M_cpd25968	secondary/obsolete/fantasy identifier