CHEBI:204211 - Spiruchostatin 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 Spiruchostatin A
ChEBI ID CHEBI:204211
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H31N3O6S2
Net Charge 0
Average Mass 473.600
Monoisotopic Mass 473.16543
InChI InChI=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
InChIKey XFLBOEMFLGLWFF-RCYPOCGFSA-N
SMILES S1SCCC=CC2OC(=O)CC(C(NC([C@@H](C1)NC(=O)[C@H](NC(=O)C2)C)=O)C(C)C)O
Metabolite of Species Details
Pseudomonasspecies (NCBI:txid306) See: DOI
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 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 Xref Database
78445127 ChemSpider
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