Terminology Service for NFDI4Health
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desmosine

Go to external page http://purl.obolibrary.org/obo/CHEBI_37628

Term info

Label

desmosine

Synonyms
  • 4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium
database cross reference
Subsets

3_STAR

IUPAC NAME
4-[(4S)-4-amino-4-carboxybutyl]-1-[(5S)-5-amino-5-carboxypentyl]-3,5-bis[(3S)-3-amino-3-carboxypropyl]pyridinium [ IUPAC ]

charge

+1

formula

C24H40N5O8

has obo namespace

chebi_ontology

id

CHEBI:37628

inchi

InChI=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

inchikey

VEVRNHHLCPGNDU-MUGJNUQGSA-O

mass

526.60330

monoisotopicmass

526.28714

smiles

N[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