CHEBI:144402 - Tabtoxin biosynthesis intermediate 5;

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Tabtoxin biosynthesis intermediate 5;
ChEBI ID CHEBI:144402
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C11H21N3O6
Net Charge 0
Average Mass 291.301
Monoisotopic Mass 291.143
InChI InChI=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
InChIKey MDUSHNNLINVHSC-BJLRKGDGSA-N
SMILES O=C(O)[C@@H](NC(=O)[C@@H](N)CCC(C(=O)O)CN)[C@H](O)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain BALB/c [EFO:0000602] See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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 Xref Database
C20915 KEGG COMPOUND
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