CHEBI:204033 - JM47

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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 JM47
ChEBI ID CHEBI:204033
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H34N4O6
Net Charge 0
Average Mass 438.525
Monoisotopic Mass 438.24783
InChI InChI=1S/C21H34N4O6/c1-12-18(28)22-13(2)19(29)24-15(8-5-4-6-10-17(27)14(3)26)21(31)25-11-7-9-16(25)20(30)23-12/h12-16,26H,4-11H2,1-3H3,(H,22,28)(H,23,30)(H,24,29)/t12-,13+,14-,15-,16+/m0/s1
InChIKey LITDOSAZPRIJRA-XFIYOXNOSA-N
SMILES O=C1N2[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(N[C@H]1CCCCCC(=O)[C@@H](O)C)=O)C)C)CCC2
Metabolite of Species Details
Fusariumspecies (NCBI:txid29916) See: DOI
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing JM47 (CHEBI:204033) is a oligopeptide (CHEBI:25676)
IUPAC Name
(3S,6R,9S,12R)-3-[(7S)-7-hydroxy-6-oxooctyl]-6,9-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Manual Xref Database
9114293 ChemSpider
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