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CHEBI:232792 - N-acetyl-β-D-glucosaminyl-N-acetyl-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanine(2−)

ChEBI IDCHEBI:232792
ChEBI NameN-acetyl-β-D-glucosaminyl-N-acetyl-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanine(2−)
Stars
ASCII NameN-acetyl-beta-D-glucosaminyl-N-acetyl-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanine(2-)
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC40H64N8O22
Net Charge-2
Average Mass1008.986
Monoisotopic Mass1008.41461
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)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-])[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C40H66N8O22/c1-14(32(56)44-16(3)36(60)61)43-35(59)21(9-7-8-20(41)37(62)63)47-25(53)11-10-22(38(64)65)48-33(57)15(2)42-34(58)17(4)67-31-27(46-19(6)52)39(66)68-24(13-50)30(31)70-40-26(45-18(5)51)29(55)28(54)23(12-49)69-40/h14-17,20-24,26-31,39-40,49-50,54-55,66H,7-13,41H2,1-6H3,(H,42,58)(H,43,59)(H,44,56)(H,45,51)(H,46,52)(H,47,53)(H,48,57)(H,60,61)(H,62,63)(H,64,65)/p-2/t14-,15+,16-,17-,20-,21+,22-,23-,24-,26-,27-,28-,29-,30-,31-,39?,40+/m1/s1
InChIKeyWRECOTYEPGFDFR-AJDOSHFQSA-L
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-β-D-glucosaminyl-N-acetyl-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanine(2−) (CHEBI:232792) is a peptide anion (CHEBI:60334)
Synonyms  Source
N-acetyl-β-D-glucosaminyl-N-acetyl-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanineSUBMITTER
N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-muramoyl-3-(L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine)(2−)SUBMITTER
UniProt Name  Source
N-acetyl-β-D-glucosaminyl-N-acetyl-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminoheptanedioyl-D-alanyl-D-alanineUniProt