CHEBI:223560 - Stevastelin 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 Stevastelin A
ChEBI ID CHEBI:223560
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H61N3O12S
Net Charge 0
Average Mass 735.930
Monoisotopic Mass 735.39760
InChI InChI=1S/C34H61N3O12S/c1-8-9-10-11-12-13-14-15-16-17-18-19-27-22(4)30(39)23(5)31(40)36-28(21(2)3)32(41)37-29(24(6)49-50(44,45)46)33(42)35-26(34(43)48-27)20-47-25(7)38/h21-24,26-30,39H,8-20H2,1-7H3,(H,35,42)(H,36,40)(H,37,41)(H,44,45,46)/t22?,23?,24-,26+,27?,28+,29+,30?/m1/s1
InChIKey VUMYBJFFBNXPOV-CSFMTDHRSA-N
SMILES S(=O)(=O)(O[C@@H]([C@@H]1NC(=O)[C@@H](NC(=O)C(C(O)C(C(OC([C@@H](NC1=O)COC(=O)C)=O)CCCCCCCCCCCCC)C)C)C(C)C)C)O
Metabolite of Species Details
Penicilliumspecies (NCBI:txid5081) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Stevastelin A (CHEBI:223560) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
[(3S,6S,9S)-13-hydroxy-12,14-dimethyl-2,5,8,11-tetraoxo-9-propan-2-yl-6-[(1R)-1-sulooxyethyl]-15-tridecyl-1-oxa-4,7,10-triazacyclopentadec-3-yl]methyl acetate
Manual Xref Database
8638100 ChemSpider
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