CHEBI:223406 - Isariin C

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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 Isariin C
ChEBI ID CHEBI:223406
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H49N5O7
Net Charge 0
Average Mass 567.728
Monoisotopic Mass 567.36320
InChI InChI=1S/C28H49N5O7/c1-8-9-10-11-12-20-14-22(34)29-15-23(35)33-24(17(4)5)27(38)32-21(13-16(2)3)26(37)30-18(6)25(36)31-19(7)28(39)40-20/h16-21,24H,8-15H2,1-7H3,(H,29,34)(H,30,37)(H,31,36)(H,32,38)(H,33,35)/t18-,19+,20+,21+,24+/m0/s1
InChIKey YBUNWQZCPQUPOR-XFJGJFDASA-N
SMILES O=C1O[C@@H](CC(=O)NCC(=O)N[C@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@@H]1C)=O)C)=O)CC(C)C)=O)CCCCCC
Metabolite of Species Details
Beauveria felina (NCBI:txid37994) 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 Isariin C (CHEBI:223406) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6S,9R,12R,19R)-19-hexyl-3,6-dimethyl-9-(2-methylpropyl)-12-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone
Manual Xref Database
78443088 ChemSpider
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