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CHEBI:204211 - Spiruchostatin A

ChEBI IDCHEBI:204211
ChEBI NameSpiruchostatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O6S2
Net Charge0
Average Mass473.617
Monoisotopic Mass473.16543
SMILESCC(C)C1NC(=O)[C@H]2CSSCC/C=C/C(CC(=O)N[C@H](C)C(=O)N2)OC(=O)CC1O
InChIInChI=1S/C20H31N3O6S2/c1-11(2)18-15(24)9-17(26)29-13-6-4-5-7-30-31-10-14(20(28)23-18)22-19(27)12(3)21-16(25)8-13/h4,6,11-15,18,24H,5,7-10H2,1-3H3,(H,21,25)(H,22,27)(H,23,28)/b6-4+/t12-,13?,14-,15?,18?/m1/s1
InChIKeyXFLBOEMFLGLWFF-RCYPOCGFSA-N
Species of MetaboliteComponentSourceComments
Pseudomonasspecies (ncbitaxon:306) - DOI (10.1016/s0040-4039(00)01874-8)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Spiruchostatin A (CHEBI:204211) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(9S,15E,20R)-5-hydroxy-20-methyl-6-propan-2-yl-2-oxa-11,12-dithia-7,19,22-triazabicyclo[7.7.6]docos-15-ene-3,8,18,21-tetrone
Manual XrefsDatabases
78445127ChemSpider