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CHEBI:37628 - desmosine

ChEBI IDCHEBI:37628
ChEBI Namedesmosine
Stars
Last Modified23 October 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC24H40N5O8
Net Charge+1
Average Mass526.611
Monoisotopic Mass526.28714
SMILESN[C@@H](CCCC[n+]1cc(CC[C@H](N)C(=O)O)c(CCC[C@H](N)C(=O)O)c(CC[C@H](N)C(=O)O)c1)C(=O)O
InChIInChI=1S/C24H39N5O8/c25-17(21(30)31)5-1-2-11-29-12-14(7-9-19(27)23(34)35)16(4-3-6-18(26)22(32)33)15(13-29)8-10-20(28)24(36)37/h12-13,17-20H,1-11,25-28H2,(H3-,30,31,32,33,34,35,36,37)/p+1/t17-,18-,19-,20-/m0/s1
InChIKeyVEVRNHHLCPGNDU-MUGJNUQGSA-O
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
desmosine (CHEBI:37628) has functional parent L-lysine (CHEBI:18019)
desmosine (CHEBI:37628) is a aromatic amino acid (CHEBI:33856)
Incoming Relation(s)
desmosine residue (CHEBI:37629) is substituent group from desmosine (CHEBI:37628)
IUPAC Name 
4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium
Synonym  Source
DesChEBI
Registry NumbersSources
Beilstein:4074277Beilstein
CAS:11003-57-9ChemIDplus