EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:199871 - Ngercheumicin F

ChEBI IDCHEBI:199871
ChEBI NameNgercheumicin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H76N6O11
Net Charge0
Average Mass853.112
Monoisotopic Mass852.55721
SMILESCCCCCC/C=C\CCCC(O)CC(=O)NC(CC(C)C)C(=O)N[C@@H]1C(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O[C@H]1C
InChIInChI=1S/C43H76N6O11/c1-10-11-12-13-14-15-16-17-18-19-30(52)23-35(53)44-31(20-25(2)3)39(55)49-37-29(9)60-43(59)33(22-27(6)7)46-38(54)32(21-26(4)5)45-41(57)36(28(8)51)48-40(56)34(24-50)47-42(37)58/h15-16,25-34,36-37,50-52H,10-14,17-24H2,1-9H3,(H,44,53)(H,45,57)(H,46,54)(H,47,58)(H,48,56)(H,49,55)/b16-15-/t28-,29-,30?,31?,32?,33?,34+,36-,37-/m0/s1
InChIKeyRHJAHLYWTDULNL-HJTHNFCZSA-N
Species of MetaboliteComponentSourceComments
Photobacteriumspecies (ncbitaxon:660) - PubMed (24351904)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ngercheumicin F (CHEBI:199871) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(Z)-3-hydroxy-N-[1-[[(9S,12R,15S,16S)-9-[(1S)-1-hydroxyethyl]-12-(hydroxymethyl)-16-methyl-3,6-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetrazacyclohexadec-15-yl]amino]-4-methyl-1-oxopentan-2-yl]tetradec-7-enamide
Manual XrefsDatabases
78445490ChemSpider