CHEBI:219955 - Stephensiolide I

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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 I
ChEBI ID CHEBI:219955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H59N5O9
Net Charge 0
Average Mass 669.861
Monoisotopic Mass 669.43128
InChI InChI=1S/C33H59N5O9/c1-7-9-10-11-12-13-14-15-16-17-25(41)36-28-22(6)47-33(46)27(21(5)8-2)38-31(44)26(20(3)4)37-30(43)24(19-40)34-29(42)23(18-39)35-32(28)45/h20-24,26-28,39-40H,7-19H2,1-6H3,(H,34,42)(H,35,45)(H,36,41)(H,37,43)(H,38,44)/t21-,22+,23+,24-,26+,27?,28-/m0/s1
InChIKey UODWWYDVWIDUQF-BMTJWYNSSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCCCCCCCCCC)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@@H](C(NC1[C@H](CC)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 I (CHEBI:219955) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
N-[(6R,9S,12R,15S,16R)-3-[(2S)-butan-2-yl]-9,12-bis(hydroxymethyl)-16-methyl-2,5,8,11,14-pentaoxo-6-propan-2-yl-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]dodecanamide
Manual Xref Database
78440649 ChemSpider
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