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CHEBI:230340 - Glucosaminylmuramyl-2-alanine-D-isoglutamine

ChEBI IDCHEBI:230340
ChEBI NameGlucosaminylmuramyl-2-alanine-D-isoglutamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H43N5O15
Net Charge0
Average Mass653.639
Monoisotopic Mass653.27557
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(N)=O)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C25H43N5O15/c1-8(21(37)30-11(23(39)40)4-5-14(26)34)28-22(38)9(2)42-20-16(29-10(3)33)24(41)43-13(7-32)19(20)45-25-15(27)18(36)17(35)12(6-31)44-25/h8-9,11-13,15-20,24-25,31-32,35-36,41H,4-7,27H2,1-3H3,(H2,26,34)(H,28,38)(H,29,33)(H,30,37)(H,39,40)/t8-,9+,11+,12+,13+,15+,16+,17+,18+,19+,20+,24+,25-/m0/s1
InChIKeyMXMOFDISXOBSJM-BHACDBBJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Glucosaminylmuramyl-2-alanine-D-isoglutamine (CHEBI:230340) is a peptide (CHEBI:16670)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoic acid
Manual XrefsDatabases
52083483ChemSpider