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CHEBI:83950 - SDZ 90-215

ChEBI IDCHEBI:83950
ChEBI NameSDZ 90-215
Stars
DefinitionA cyclodepsipeptide constructed from Pip, MeVal, Val, MeAsp, MeIle, MeIle, Gly, MeVal, Tyr(Me) and D-Lac residues.
Last Modified1 December 2014
SubmitterSteve
DownloadsMolfile
FormulaC57H91N9O14
Net Charge0
Average Mass1126.404
Monoisotopic Mass1125.66855
SMILESCC[C@H](C)C1C(=O)N(C)[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(OC)cc2)C(=O)O[C@H](C)C(=O)N2CCCC[C@H]2C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(=O)O)C(=O)N1C
InChIInChI=1S/C57H91N9O14/c1-18-34(9)47-49(70)58-30-42(67)62(13)45(32(5)6)50(71)59-39(28-37-23-25-38(79-17)26-24-37)57(78)80-36(11)52(73)66-27-21-20-22-40(66)53(74)63(14)46(33(7)8)51(72)60-44(31(3)4)55(76)61(12)41(29-43(68)69)54(75)65(16)48(35(10)19-2)56(77)64(47)15/h23-26,31-36,39-41,44-48H,18-22,27-30H2,1-17H3,(H,58,70)(H,59,71)(H,60,72)(H,68,69)/t34-,35-,36+,39-,40-,41-,44-,45-,46-,47-,48?/m0/s1
InChIKeyWRIUTPDMSISMSW-RVQHATKUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
SDZ 90-215 (CHEBI:83950) has role fungal metabolite (CHEBI:76946)
SDZ 90-215 (CHEBI:83950) is a cyclodepsipeptide (CHEBI:35213)
SDZ 90-215 (CHEBI:83950) is a macrocycle (CHEBI:51026)
Synonyms  Source
Cyclopeptolide 1ChemIDplus
cyclo-Pec-MeVal-Val-MeAsp-MeIle-MeIle-Gly-MeVal-Tyr(Me)-R-HyprChEBI
Registry NumbersSources
Reaxys:6681692Reaxys
CAS:129816-38-2ChemIDplus
Citations