CHEBI:80592 - 7-Mercaptoheptanoylthreonine

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ChEBI Name 7-Mercaptoheptanoylthreonine
ChEBI ID CHEBI:80592
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H21NO4S
Net Charge 0
Average Mass 263.35400
Monoisotopic Mass 263.11913
InChI InChI=1S/C11H21NO4S/c1-8(13)10(11(15)16)12-9(14)6-4-2-3-5-7-17/h8,10,13,17H,2-7H2,1H3,(H,12,14)(H,15,16)/t8-,10+/m1/s1
InChIKey MZUIODFZFFPDDR-SCZZXKLOSA-N
SMILES C[C@@H](O)[C@H](NC(=O)CCCCCCS)C(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 7-Mercaptoheptanoylthreonine (CHEBI:80592) is a hydroxy fatty acid (CHEBI:24654)
Manual Xrefs Databases
C00000768 KNApSAcK
C16594 KEGG COMPOUND
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