CHEBI:219965 - Stephensiolide H

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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 H
ChEBI ID CHEBI:219965
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C34H59N5O9
Net Charge 0
Average Mass 681.872
Monoisotopic Mass 681.43128
InChI InChI=1S/C34H59N5O9/c1-7-9-10-11-12-13-14-15-16-17-18-26(42)37-29-23(6)48-34(47)28(22(5)8-2)39-32(45)27(21(3)4)38-31(44)25(20-41)35-30(43)24(19-40)36-33(29)46/h14-15,21-25,27-29,40-41H,7-13,16-20H2,1-6H3,(H,35,43)(H,36,46)(H,37,42)(H,38,44)(H,39,45)/b15-14-/t22-,23+,24+,25-,27+,28?,29-/m0/s1
InChIKey MLBDFWCKOQMKMV-KIKNOWLXSA-N
SMILES O=C1O[C@@H]([C@H](NC(=O)CCC/C=C\CCCCCCC)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 H (CHEBI:219965) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(Z)-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]tridec-5-enamide
Manual Xref Database
78440651 ChemSpider
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