CHEBI:198513 - Bromomonamycin F

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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 Bromomonamycin F
ChEBI ID CHEBI:198513
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H58BrN7O8
Net Charge 0
Average Mass 784.794
Monoisotopic Mass 783.35303
InChI InChI=1S/C35H58BrN7O8/c1-9-20(6)28-35(50)51-29(21(7)10-2)34(49)43-26(13-22(36)15-37-43)33(48)42-27(14-23(44)16-38-42)31(46)40(8)25(11-18(3)4)32(47)41-17-19(5)12-24(41)30(45)39-28/h18-29,37-38,44H,9-17H2,1-8H3,(H,39,45)/t19-,20?,21?,22?,23-,24-,25+,26+,27-,28+,29-/m0/s1
InChIKey RHDWSWFLIAKXLG-MYYYIYSMSA-N
SMILES BrC1CNN2C(=O)[C@@H](OC(=O)[C@H](NC(=O)[C@@H]3C[C@@H](CN3C([C@H](N(C([C@H]4N(C([C@H]2C1)=O)NC[C@@H](O)C4)=O)C)CC(C)C)=O)C)C(CC)C)C(CC)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 Bromomonamycin F (CHEBI:198513) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(1R,6S,8S,11R,15S,17S,20R,23S)-28-bromo-20,23-di(butan-2-yl)-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-22-oxa-3,4,10,13,19,25,26-heptazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Manual Xref Database
78445379 ChemSpider
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