CHEBI:208726 - Scopularide 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 Scopularide D
ChEBI ID CHEBI:208726
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H63N5O7
Net Charge 0
Average Mass 665.917
Monoisotopic Mass 665.47275
InChI InChI=1S/C35H63N5O7/c1-11-12-13-14-15-23(8)17-24(9)27-18-28(41)36-19-29(42)39-30(21(4)5)34(45)38-26(16-20(2)3)33(44)37-25(10)32(43)40-31(22(6)7)35(46)47-27/h20-27,30-31H,11-19H2,1-10H3,(H,36,41)(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t23-,24-,25-,26+,27-,30-,31-/m0/s1
InChIKey CSJVUDGCIHMRRC-ORJUUISASA-N
SMILES O=C1O[C@H]([C@H](C[C@H](CCCCCC)C)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C)=O)CC(C)C)=O
Metabolite of Species Details
Beauveria (NCBI:txid5581) 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 Scopularide D (CHEBI:208726) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6S,9R,12S,19S)-6-methyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
77006268 ChemSpider
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