CHEBI:219988 - Stephensiolide D

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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 D
ChEBI ID CHEBI:219988
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H55N5O9
Net Charge 0
Average Mass 641.807
Monoisotopic Mass 641.39998
InChI InChI=1S/C31H55N5O9/c1-7-9-10-11-12-13-14-15-23(39)34-26-20(6)45-31(44)25(19(5)8-2)36-29(42)24(18(3)4)35-28(41)22(17-38)32-27(40)21(16-37)33-30(26)43/h18-22,24-26,37-38H,7-17H2,1-6H3,(H,32,40)(H,33,43)(H,34,39)(H,35,41)(H,36,42)/t19-,20+,21+,22-,24+,25?,26-/m0/s1
InChIKey ZYMPQDJNXLRYDT-VUFXYZLVSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCCCCCCCC)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 D (CHEBI:219988) 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]decanamide
Manual Xref Database
78440655 ChemSpider
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