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CHEBI:168656 - Merodesmosine

ChEBI IDCHEBI:168656
ChEBI NameMerodesmosine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34N4O6
Net Charge0
Average Mass402.492
Monoisotopic Mass402.24783
SMILESNC(CCC/C=C(\CCC(N)C(=O)O)CNCCCCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C18H34N4O6/c19-13(16(23)24)6-2-1-5-12(8-9-15(21)18(27)28)11-22-10-4-3-7-14(20)17(25)26/h5,13-15,22H,1-4,6-11,19-21H2,(H,23,24)(H,25,26)(H,27,28)/b12-5+
InChIKeyZUXGPPMNMKSOEO-LFYBBSHMSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
Merodesmosine (CHEBI:168656) is a α-amino acid (CHEBI:33704)
IUPAC Name 
(E)-2,10-diamino-5-[[(5-amino-5-carboxypentyl)amino]methyl]undec-5-enedioic acid
Manual XrefsDatabases
35013192ChemSpider
HMDB0030407HMDB