CHEBI:207483 - Acremolide D

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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 Acremolide D
ChEBI ID CHEBI:207483
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H42N2O6
Net Charge 0
Average Mass 454.608
Monoisotopic Mass 454.30429
InChI InChI=1S/C24H42N2O6/c1-14(2)21-23(30)26-12-8-11-18(26)24(31)32-20(13-19(28)17(5)22(29)25-21)15(3)9-6-7-10-16(4)27/h14-21,27-28H,6-13H2,1-5H3,(H,25,29)/t15?,16?,17?,18-,19?,20?,21+/m0/s1
InChIKey JKARYSQDCYPQGG-AGASRBRESA-N
SMILES O=C1N2[C@H](C(=O)OC(C(CCCCC(O)C)C)CC(C(C(N[C@@H]1C(C)C)=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 )
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ChEBI Ontology
Outgoing Acremolide D (CHEBI:207483) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,12S)-7-hydroxy-9-(7-hydroxyoctan-2-yl)-6-methyl-3-propan-2-yl-10-oxa-1,4-diazabicyclo[10.3.0]pentadecane-2,5,11-trione
Manual Xref Database
23314383 ChemSpider
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