CHEBI:209247 - Saroclide A

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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 Saroclide A
ChEBI ID CHEBI:209247
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H32N2O5
Net Charge 0
Average Mass 440.540
Monoisotopic Mass 440.23112
InChI InChI=1S/C25H32N2O5/c1-3-8-19-13-12-17(2)22(28)16-23(29)26-20(15-18-9-5-4-6-10-18)24(30)27-14-7-11-21(27)25(31)32-19/h4-6,9-10,12,19-21H,3,7-8,11,13-16H2,1-2H3,(H,26,29)/b17-12+/t19-,20-,21+/m1/s1
InChIKey YSNFMBLAIYADSY-CUXCDPHNSA-N
SMILES O=C1N2[C@H](C(=O)O[C@@H](CC=C(C(CC(N[C@@H]1CC3=CC=CC=C3)=O)=O)C)CCC)CCC2
Metabolite of Species Details
Sarocladium (NCBI:txid284134) 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 Saroclide A (CHEBI:209247) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,8E,11R,14S)-3-benzyl-8-methyl-11-propyl-12-oxa-1,4-diazabicyclo[12.3.0]heptadec-8-ene-2,5,7,13-tetrone
Manual Xref Database
65323279 ChemSpider
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