CHEBI:177667 - Sibrafiban

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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 Sibrafiban
ChEBI ID CHEBI:177667
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H28N4O6
Net Charge 0
Average Mass 420.466
Monoisotopic Mass 420.20088
InChI InChI=1S/C20H28N4O6/c1-3-29-17(25)12-30-16-8-10-24(11-9-16)20(27)13(2)22-19(26)15-6-4-14(5-7-15)18(21)23-28/h4-7,13,16,28H,3,8-12H2,1-2H3,(H2,21,23)(H,22,26)/t13-/m0/s1
InChIKey WBNUCLPUOSXSNJ-ZDUSSCGKSA-N
SMILES O(C1CCN(CC1)C(=O)[C@@H](NC(=O)C2=CC=C(C=C2)/C(/N)=N\O)C)CC(OCC)=O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Sibrafiban (CHEBI:177667) is a N-acylglycine (CHEBI:16180)
IUPAC Name
ethyl 2-[1-[(2S)-2-[[4-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]propanoyl]piperidin-4-yl]oxyacetate
Manual Xrefs Databases
4590509 ChemSpider
D05834 KEGG DRUG
G-7333 KEGG GLYCAN
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Registry Number Type Source
170094-62-9 CAS Registry Number ChemIDplus