CHEBI:208786 - Niphimycin C

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 Niphimycin C
ChEBI ID CHEBI:208786
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C59H103N3O18
Net Charge 0
Average Mass 1142.476
Monoisotopic Mass 1141.72366
InChI InChI=1S/C59H103N3O18/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)29-43(78-54(74)32-53(72)73)27-42(63)28-44-30-51(70)56(75)59(77,80-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(76)79-55/h10-11,15-16,19-21,24,34-52,55-56,63-71,75,77H,12-14,17-18,22-23,25-33H2,1-9H3,(H,72,73)(H3,60,61,62)/b11-10+,19-15-,20-16-,24-21-/t34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44+,45+,46-,47+,48+,49+,50-,51-,52+,55-,56+,59-/m0/s1
InChIKey XUFXJNAQSHPBTO-JNNNKYIHSA-N
SMILES O=C1O[C@@H]([C@H](C=CC=C[C@@H](O)[C@H]([C@H](O)C[C@@H](OC(=O)CC(=O)O)C[C@H](O)C[C@H]2O[C@](C[C@H]([C@H](CC[C@@H]([C@H]([C@H](C[C@H]([C@H](C=C[C@H]([C@H]1C)O)C)O)O)C)O)C)O)(O)[C@H](O)[C@H](C2)O)C)C)[C@H](C[C@H](CCC/C=C/CCCNC(=NC)N)C)C
Metabolite of Species Details
Streptomycesspecies IMB7-145 (NCBI:txid2070498) See: PubMed
ChEBI Ontology
Outgoing Niphimycin C (CHEBI:208786) is a macrolide (CHEBI:25106)
IUPAC Name
3-oxo-3-[[(1R,3R,5S,7R,8S,9R,10E,12E,14S,15R,18R,19R,20E,22S,23R,25S,26R,27S,30S,31R,33S,34R,35S)-3,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-15-[(E,2S,4S)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-5-yl]oxy]propanoic acid
Manual Xref Database
64808810 ChemSpider
View more database links