CHEBI:223400 - Isariin 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 Isariin D
ChEBI ID CHEBI:223400
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H45N5O7
Net Charge 0
Average Mass 539.674
Monoisotopic Mass 539.33190
InChI InChI=1S/C26H45N5O7/c1-8-9-10-18-12-20(32)27-13-21(33)31-22(15(4)5)25(36)30-19(11-14(2)3)24(35)28-16(6)23(34)29-17(7)26(37)38-18/h14-19,22H,8-13H2,1-7H3,(H,27,32)(H,28,35)(H,29,34)(H,30,36)(H,31,33)/t16-,17+,18+,19+,22+/m1/s1
InChIKey OMCRYJIAXGEETJ-PEXPKUBFSA-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)CCCC
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 D (CHEBI:223400) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12S,19S)-19-butyl-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
78443087 ChemSpider
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