CHEBI:144397 - Argiopinin I

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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 Argiopinin I
ChEBI ID CHEBI:144397
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C36H63N12O6
Net Charge +1
Average Mass 759.964
Monoisotopic Mass 759.499
InChI InChI=1S/C36H62N12O6/c1-48(2,20-10-18-43-34(53)26(38)12-9-17-45-36(40)41)19-7-4-11-25(37)33(52)42-15-5-3-6-16-44-35(54)28(22-30(39)50)47-31(51)21-24-23-46-27-13-8-14-29(49)32(24)27/h8,13-14,23,25-26,28,46H,3-7,9-12,15-22,37-38H2,1-2H3,(H10-,39,40,41,42,43,44,45,47,49,50,51,52,53,54)/p+1
InChIKey PASGEHUZOLMKLZ-UHFFFAOYSA-O
SMILES O=C(NCCCCCNC(=O)C(N)CCCC[N+](CCCNC(=O)C(N)CCCNC(=N)N)(C)C)C(NC(=O)CC=1C2=C(O)C=CC=C2NC1)CC(=O)N
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in liver (BTO:0000759). of strain BALB/c [EFO:0000602] See: MetaboLights Study
ChEBI Ontology
Outgoing Argiopinin I (CHEBI:144397) is a asparagine derivative (CHEBI:22654)
IUPAC Name
[5-amino-6-[5-[[4-amino-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]-4-oxobutanoyl]amino]pentylamino]-6-oxohexyl]-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]-dimethylazanium
Manual Xref Database
C20093 KEGG COMPOUND
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