CHEBI:219800 - Sunshinamide

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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 Sunshinamide
ChEBI ID CHEBI:219800
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H35N3O5S2
Net Charge 0
Average Mass 521.690
Monoisotopic Mass 521.20181
InChI InChI=1S/C25H35N3O5S2/c1-2-3-4-5-9-12-18-14-22(29)26-19(13-17-10-7-6-8-11-17)23(30)27-20-15-34-35-16-21(25(32)33-18)28-24(20)31/h6-8,10-11,18-21H,2-5,9,12-16H2,1H3,(H,26,29)(H,27,30)(H,28,31)/t18?,19-,20+,21+/m1/s1
InChIKey KFYDPFIYPBXQLG-IWORHSITSA-N
SMILES S1SC[C@@H]2NC(=O)[C@H](NC(CC(OC([C@H](C1)NC2=O)=O)CCCCCCC)=O)CC3=CC=CC=C3
Metabolite of Species Details
Gynuella sunshinyii (NCBI:txid1445505) 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 )
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ChEBI Ontology
Outgoing Sunshinamide (CHEBI:219800) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(1R,4R,11R)-4-benzyl-8-heptyl-9-oxa-13,14-dithia-2,5,17-triazabicyclo[9.4.2]heptadecane-3,6,10,16-tetrone
Manual Xref Database
78443360 ChemSpider
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