CHEBI:216721 - Isaridin 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 Isaridin A
ChEBI ID CHEBI:216721
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H53N5O7
Net Charge 0
Average Mass 703.881
Monoisotopic Mass 703.39450
InChI InChI=1S/C39H53N5O7/c1-25(2)22-32-38(49)44-21-13-18-30(44)36(47)41-29(23-27-14-9-7-10-15-27)37(48)43(6)34(26(3)4)39(50)42(5)31(24-28-16-11-8-12-17-28)35(46)40-20-19-33(45)51-32/h7-12,14-17,25-26,29-32,34H,13,18-24H2,1-6H3,(H,40,46)(H,41,47)/t29-,30-,31-,32-,34-/m0/s1
InChIKey WLYWDCKLTCKHAK-JOBLXHLTSA-N
SMILES O=C1N([C@H](C(=O)NCCC(=O)O[C@@H](CC(C)C)C(N2[C@H](C(N[C@H](C(N([C@H]1C(C)C)C)=O)CC3=CC=CC=C3)=O)CCC2)=O)CC4=CC=CC=C4)C
Metabolite of Species Details
Isariaspecies (NCBI:txid1906752) 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 Isaridin A (CHEBI:216721) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,10S,13S,16S,19S)-10,16-dibenzyl-11,14-dimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual Xref Database
34219441 ChemSpider
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