CHEBI:220005 - Stephensiolide 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 Stephensiolide A
ChEBI ID CHEBI:220005
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H49N5O9
Net Charge 0
Average Mass 599.726
Monoisotopic Mass 599.35303
InChI InChI=1S/C28H49N5O9/c1-7-8-9-10-11-12-20(36)31-23-17(6)42-28(41)22(16(4)5)33-26(39)21(15(2)3)32-25(38)19(14-35)29-24(37)18(13-34)30-27(23)40/h15-19,21-23,34-35H,7-14H2,1-6H3,(H,29,37)(H,30,40)(H,31,36)(H,32,38)(H,33,39)/t17-,18-,19+,21-,22?,23+/m1/s1
InChIKey MSYDJMRXBLIWIS-WCTRMTBBSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCCCCCC)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(NC1C(C)C)=O)C(C)C)=O)CO)CO)C
Metabolite of Species Details
Serratiaspecies (in: enterobacteria) (NCBI:txid616) 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 Stephensiolide A (CHEBI:220005) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(6R,9S,12R,15S,16R)-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-3,6-di(propan-2-yl)-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]octanamide
Manual Xref Database
78440658 ChemSpider
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