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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine
MNXM19616 is deprecated and here replaced by MNXM732181
!!! Alternative mappings exist !!!
Properties
Image
Occurences in reactions
MNX_ID
MNXM732181
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
33
H
54
N
6
O
20
charge
0
mass
854.33929
reference
keggC:C04876
InChIKey
GGQSPFOOXYIGQQ-IEZVQVLWSA-N
InChI
InChI=1S/C33H54N6O20/c1-11(26(47)39-17(30(53)54)8-9-19(43)38-16(29(51)52)7-5-6-15(34)28(49)50)35-27(48)12(2)56-25-21(37-14(4)42)31(55)58-33(24(25)46)59-32-20(36-13(3)41)23(45)22(44)18(10-40)57-32/h11-12,15-18,20-25,31-33,40,44-46,55H,5-10,34H2,1-4H3,(H,35,48)(H,36,41)(H,37,42)(H,38,43)(H,39,47)(H,49,50)(H,51,52)(H,53,54)/t11-,12?,15?,16-,17+,18+,20+,21+,22+,23+,24-,25+,31?,32+,33+/m0/s1
SMILES
CC(=O)N[C@H]1C(O)O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@@H]1OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCC(N)C(=O)O)C(=O)O)C(=O)O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
kegg.compound:C04876
keggC:C04876
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine
keggC:M_C04876
secondary/obsolete/fantasy identifier