CHEBI:69618 - Roseotoxin S

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ChEBI Name Roseotoxin S
ChEBI ID CHEBI:69618
Definition A natural product found in Trichothecium speciesMSX 51320.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H39N3O8
Net Charge 0
Average Mass 485.57110
Monoisotopic Mass 485.27372
InChI InChI=1S/C23H39N3O8/c1-9-12(6)15-23(32)34-18(11(4)5)21(30)26-16(14(8)27)19(28)24-13(7)22(31)33-17(10(2)3)20(29)25-15/h10-18,27H,9H2,1-8H3,(H,24,28)(H,25,29)(H,26,30)/t12-,13-,14+,15-,16+,17?,18?/m0/s1
InChIKey PKUOXRWYQWMYQK-VWQSNCKISA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)C(OC(=O)[C@H](C)NC(=O)[C@H](NC(=O)C(OC1=O)C(C)C)[C@@H](C)O)C(C)C
Metabolite of Species Details
Trichothecium sp.cies MSX 51320 (NCBI:txid1094547) Mycosynthetix fungal strain was isolated by Dr.Barry Katz from leaf litter 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 )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Roseotoxin S (CHEBI:69618) has role metabolite (CHEBI:25212)
Roseotoxin S (CHEBI:69618) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
21978324 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:alpha-amino acid ester(CHEBI:46874); ISA:amino alcohol(CHEBI:22478); ISA:lactone(CHEBI:25000); ISA:carboxamide(CHEBI:37622); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);