CHEBI:63777 - 6-O-butyryl-N-acetylmuramyl-L-alanyl-D-isoglutamine N-hydroxy-5-norbornene-2,3-dicarboxylmidyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-O-butyryl-N-acetylmuramyl-L-alanyl-D-isoglutamine N-hydroxy-5-norbornene-2,3-dicarboxylmidyl ester
ChEBI ID CHEBI:63777
ChEBI ASCII Name 6-O-butyryl-N-acetylmuramyl-L-alanyl-D-isoglutamine N-hydroxy-5-norbornene-2,3-dicarboxylmidyl ester
Definition A glycopeptide obtained by formal condensation of the carboxy group of 6-O-butyrylated muramyl dipeptide with the hydroxy group of N-hydroxy-5-norbornene-2,3-dicarboxylmide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H45N5O14
Net Charge 0
Average Mass 723.72480
Monoisotopic Mass 723.29630
InChI InChI=1S/C32H45N5O14/c1-5-6-20(39)48-12-19-25(41)26(24(32(47)50-19)35-15(4)38)49-14(3)29(44)34-13(2)28(43)36-18(27(33)42)9-10-21(40)51-37-30(45)22-16-7-8-17(11-16)23(22)31(37)46/h7-8,13-14,16-19,22-26,32,41,47H,5-6,9-12H2,1-4H3,(H2,33,42)(H,34,44)(H,35,38)(H,36,43)/t13-,14+,16?,17?,18+,19+,22?,23?,24+,25+,26+,32?/m0/s1
InChIKey VFOURAYJBXAUOE-FWPVCLMSSA-N
SMILES CCCC(=O)OC[C@H]1OC(O)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)ON2C(=O)C3C4CC(C=C4)C3C2=O)C(N)=O)[C@@H]1O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): hapten
Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 6-O-butyryl-N-acetylmuramyl-L-alanyl-D-isoglutamine N-hydroxy-5-norbornene-2,3-dicarboxylmidyl ester (CHEBI:63777) has role hapten (CHEBI:59174)
6-O-butyryl-N-acetylmuramyl-L-alanyl-D-isoglutamine N-hydroxy-5-norbornene-2,3-dicarboxylmidyl ester (CHEBI:63777) is a butyrate ester (CHEBI:50477)
6-O-butyryl-N-acetylmuramyl-L-alanyl-D-isoglutamine N-hydroxy-5-norbornene-2,3-dicarboxylmidyl ester (CHEBI:63777) is a glycopeptide (CHEBI:24396)
Synonym Source
L4-MDP-ONB ChEBI
Citation Waiting for Citations Type Source
2933141 PubMed citation Europe PMC
Last Modified
26 August 2015