CHEBI:144395 - Argiopinin II

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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 II
ChEBI ID CHEBI:144395
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C35H60N12O6
Net Charge 0
Average Mass 744.929
Monoisotopic Mass 744.476
InChI InChI=1S/C35H60N12O6/c1-47(19-9-17-42-33(52)25(37)11-8-16-44-35(39)40)18-6-3-10-24(36)32(51)41-14-4-2-5-15-43-34(53)27(21-29(38)49)46-30(50)20-23-22-45-26-12-7-13-28(48)31(23)26/h7,12-13,22,24-25,27,45,48H,2-6,8-11,14-21,36-37H2,1H3,(H2,38,49)(H,41,51)(H,42,52)(H,43,53)(H,46,50)(H4,39,40,44)
InChIKey FYFIQPOMCZFNLW-UHFFFAOYSA-N
SMILES O=C(NCCCCCNC(=O)C(N)CCCCN(CCCNC(=O)C(N)CCCNC(=N)N)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 II (CHEBI:144395) is a asparagine derivative (CHEBI:22654)
IUPAC Name
N-[5-[[2-amino-6-[3-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl-methylamino]hexanoyl]amino]pentyl]-2-[[2-(4-hydroxy-1H-indol-3-yl)acetyl]amino]butanediamide
Manual Xref Database
C20094 KEGG COMPOUND
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