CHEBI:223046 - Anthelvencin C

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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 Anthelvencin C
ChEBI ID CHEBI:223046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27N9O3
Net Charge 0
Average Mass 441.496
Monoisotopic Mass 441.22369
InChI InChI=1S/C20H27N9O3/c1-28-10-12(7-14(28)19(31)24-6-5-16(21)22)26-20(32)15-8-11(9-29(15)2)25-18(30)13-3-4-17(23)27-13/h7-10,13H,3-6H2,1-2H3,(H3,21,22)(H2,23,27)(H,24,31)(H,25,30)(H,26,32)/t13-/m0/s1
InChIKey QLVFNFMPVONXSG-ZDUSSCGKSA-N
SMILES O=C(NC1=CN(C)C(=C1)C(=O)NCCC(=N)N)C=2N(C=C(C2)NC(=O)[C@H]3N=C(N)CC3)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Anthelvencin C (CHEBI:223046) has functional parent α-amino acid (CHEBI:33704)
Anthelvencin C (CHEBI:223046) is a organonitrogen compound (CHEBI:35352)
Anthelvencin C (CHEBI:223046) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4-[(5-amino-3,4-dihydro-2H-pyrrole-2-carbonyl)amino]-N-[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
Manual Xref Database
57453223 ChemSpider
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