CHEBI:204407 - Acremolide B

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ChEBI Name Acremolide B
ChEBI ID CHEBI:204407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H40N2O6
Net Charge 0
Average Mass 500.636
Monoisotopic Mass 500.28864
InChI InChI=1S/C28H40N2O6/c1-18(10-7-8-11-19(2)31)25-17-24(32)20(3)26(33)29-22(16-21-12-5-4-6-13-21)27(34)30-15-9-14-23(30)28(35)36-25/h4-6,12-13,18,20,22-25,32H,7-11,14-17H2,1-3H3,(H,29,33)/t18?,20?,22-,23+,24?,25?/m1/s1
InChIKey AOQQOEQINNPMNK-HJZYFBBOSA-N
SMILES O=C1N2[C@H](C(=O)OC(C(CCCCC(=O)C)C)CC(C(C(N[C@@H]1CC3=CC=CC=C3)=O)C)O)CCC2
Metabolite of Species Details
Acremonium (NCBI:txid159075) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Acremolide B (CHEBI:204407) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,12S)-3-benzyl-7-hydroxy-6-methyl-9-(7-oxooctan-2-yl)-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione
Manual Xref Database
23314409 ChemSpider
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