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CHEBI:144402 - Tabtoxin biosynthesis intermediate 5;

ChEBI IDCHEBI:144402
ChEBI NameTabtoxin biosynthesis intermediate 5;
Stars
Submittermwilliams
DownloadsMolfile
FormulaC11H21N3O6
Net Charge0
Average Mass291.304
Monoisotopic Mass291.14304
SMILESC[C@@H](O)[C@H](NC(=O)[C@@H](N)CCC(CN)C(=O)O)C(=O)O
InChIInChI=1S/C11H21N3O6/c1-5(15)8(11(19)20)14-9(16)7(13)3-2-6(4-12)10(17)18/h5-8,15H,2-4,12-13H2,1H3,(H,14,16)(H,17,18)(H,19,20)/t5-,6?,7+,8+/m1/s1
InChIKeyMDUSHNNLINVHSC-BJLRKGDGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) liver (BTO:0000759) MetaboLights (MTBLS586) Strain: BALB/c [EFO:0000602]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Tabtoxin biosynthesis intermediate 5; (CHEBI:144402) is a dipeptide (CHEBI:46761)
IUPAC Name 
(5S)-5-amino-2-(aminomethyl)-6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-6-oxohexanoic acid
Manual XrefsDatabases
C20915KEGG COMPOUND