CHEBI:206136 - FR182876

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 FR182876
ChEBI ID CHEBI:206136
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H50N4O9
Net Charge 0
Average Mass 682.815
Monoisotopic Mass 682.35778
InChI InChI=1S/C36H50N4O9/c1-16-11-22-28(32(44)17(2)31(22)43)27-21(16)13-23-29(27)30-34(46)47-25-7-9-35(23,5)49-36(30,18(25)3)48-33(45)24(12-20-14-37-15-40(20)6)39-26(42)8-10-38-19(4)41/h11,14-15,17-18,21-25,27-32,43-44H,7-10,12-13H2,1-6H3,(H,38,41)(H,39,42)/t17-,18+,21-,22+,23+,24-,25-,27-,28-,29+,30-,31-,32+,35-,36+/m0/s1
InChIKey XSSUYWMXGLYHHM-CEAKNYSVSA-N
SMILES O=C1O[C@@H]2[C@@H](C)[C@@]3([C@H]1[C@H]4[C@@H]5[C@H]6[C@H](O)[C@@H](C)[C@@H]([C@@H]6C=C([C@@H]5C[C@H]4[C@](O3)(C)CC2)C)O)OC(=O)[C@@H](NC(=O)CCNC(=O)C)CC=7N(C=NC7)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 FR182876 (CHEBI:206136) is a peptide (CHEBI:16670)
IUPAC Name
[(1S,2R,4R,7R,8R,9R,10S,11R,12S,13S,14R,17S,18R,19S)-8,10-dihydroxy-1,5,9,18-tetramethyl-15-oxo-16,20-dioxahexacyclo[15.3.2.02,13.04,12.07,11.014,19]docos-5-en-19-yl] (2S)-2-(3-acetamidopropanoylamino)-3-(3-methylimidazol-4-yl)propanoate