CHEBI:228380 - ANH

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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 ANH
ChEBI ID CHEBI:228380
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H24N4O5S
Net Charge 0
Average Mass 432.500
Monoisotopic Mass 432.14674
InChI InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1
InChIKey YAEIKQDHLCFGAA-KRWDZBQOSA-N
SMILES S(=O)(=O)(NCC(=O)N[C@@H](CC1=CC(=CC=C1)C(N)=N)C(OC)=O)C2=CC=C(C=C2)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ANH (CHEBI:228380) is a peptide (CHEBI:16670)
IUPAC Name
methyl (2S)-3-(3-carbamimidoylphenyl)-2-[[2-[(4-methylphenyl)sulonylamino]acetyl]amino]propanoate
Manual Xrefs Databases
116313 ChemSpider
ANH PDBeChem
DB01737 KEGG DRUG
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