CHEBI:210191 - Albogrisin B

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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 Albogrisin B
ChEBI ID CHEBI:210191
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32N4O7
Net Charge 0
Average Mass 500.552
Monoisotopic Mass 500.22710
InChI InChI=1S/C25H32N4O7/c1-14(2)12-19(30)17(10-11-20(31)32)27-24(34)18-13-28(3)25(35)21(29(18)4)23(36-5)22(33)15-8-6-7-9-16(15)26/h6-9,12-13,17,21,23H,10-11,26H2,1-5H3,(H,27,34)(H,31,32)/t17-,21+,23-/m0/s1
InChIKey GQBGVQRFWDUSTB-LXBDKUERSA-N
SMILES O=C1N(C=C(C(=O)N[C@H](C(=O)C=C(C)C)CCC(=O)O)N([C@@H]1[C@H](OC)C(=O)C2=C(N)C=CC=C2)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Albogrisin B (CHEBI:210191) is a aromatic ketone (CHEBI:76224)
IUPAC Name
(4S)-4-[[(2R)-2-[(1S)-2-(2-aminophenyl)-1-methoxy-2-oxoethyl]-1,4-dimethyl-3-oxo-2H-pyrazine-6-carbonyl]amino]-7-methyl-5-oxooct-6-enoic acid
Manual Xref Database
78315751 ChemSpider
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