CHEBI:201119 - Aeruginosin 298-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 Aeruginosin 298-B
ChEBI ID CHEBI:201119
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H35N3O6
Net Charge 0
Average Mass 461.559
Monoisotopic Mass 461.25259
InChI InChI=1S/C24H35N3O6/c1-13(2)9-18(26-23(32)21(30)10-14-3-6-16(28)7-4-14)24(33)27-19-12-17(29)8-5-15(19)11-20(27)22(25)31/h3-4,6-7,13,15,17-21,28-30H,5,8-12H2,1-2H3,(H2,25,31)(H,26,32)/t15-,17+,18+,19-,20-,21+/m0/s1
InChIKey FEBDAAYWFMTVBF-XDUBPDLBSA-N
SMILES O=C(N)[C@H]1N(C(=O)[C@H](NC(=O)[C@H](O)CC2=CC=C(O)C=C2)CC(C)C)[C@H]3C[C@H](O)CC[C@H]3C1
Metabolite of Species Details
Cyanobacterium (NCBI:txid102234) 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 Aeruginosin 298-B (CHEBI:201119) is a dipeptide (CHEBI:46761)
IUPAC Name
(2S,3aS,6R,7aS)-6-hydroxy-1-[(2R)-2-[[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
Manual Xref Database
60169376 ChemSpider
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