CHEBI:165853 - allocystathionine

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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 allocystathionine
ChEBI ID CHEBI:165853
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H14N2O4S
Net Charge 0
Average Mass 222.260
Monoisotopic Mass 222.06743
InChI InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5?/m0/s1
InChIKey ILRYLPWNYFXEMH-ROLXFIACSA-N
SMILES S(CC[C@H](N)C(O)=O)CC(N)C(O)=O
ChEBI Ontology
Outgoing allocystathionine (CHEBI:165853) is a cysteine derivative (CHEBI:23509)
IUPAC Name
(2S)-2-amino-4-(2-amino-2-carboxyethyl)sulanylbutanoic acid
Manual Xrefs Databases
8280480 ChemSpider
C00542 KEGG COMPOUND
CPD0-1563 MetaCyc
FDB022055 FooDB
HMDB0000455 HMDB
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Last Modified
18 February 2021