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CHEBI:195545 - biocytin zwitterion

ChEBI IDCHEBI:195545
ChEBI Namebiocytin zwitterion
Stars
DefinitionAn L-α-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of biocytin; major species at pH 7.3.
Last Modified11 August 2023
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H28N4O4S
Net Charge0
Average Mass372.491
Monoisotopic Mass372.18313
SMILES[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H]([NH3+])C(=O)[O-])[C@@]1([H])NC(=O)N2
InChIInChI=1S/C16H28N4O4S/c17-10(15(22)23)5-3-4-8-18-13(21)7-2-1-6-12-14-11(9-25-12)19-16(24)20-14/h10-12,14H,1-9,17H2,(H,18,21)(H,22,23)(H2,19,20,24)/t10-,11-,12-,14-/m0/s1
InChIKeyBAQMYDQNMFBZNA-MNXVOIDGSA-N
ChEBI Ontology
Outgoing Relation(s)
biocytin zwitterion (CHEBI:195545) is a L-α-amino acid zwitterion (CHEBI:59869)
biocytin zwitterion (CHEBI:195545) is tautomer of biocytin (CHEBI:27870)
Incoming Relation(s)
biocytin (CHEBI:27870) is tautomer of biocytin zwitterion (CHEBI:195545)
IUPAC Name 
(2S)-2-azaniumyl-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoate
UniProt Name  Source
biocytinUniProt
Manual XrefsDatabases
CPD-17700MetaCyc