EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198018 - Fusaricidin B

ChEBI IDCHEBI:198018
ChEBI NameFusaricidin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H76N10O11
Net Charge0
Average Mass897.129
Monoisotopic Mass896.56950
SMILESCC(C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N)C(C)OC(=O)[C@@H](C)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]([C@H](C)O)NC1=O
InChIInChI=1S/C42H76N10O11/c1-23(2)32-37(58)50-33(24(3)4)38(59)52-34(26(6)53)39(60)48-29(19-20-30(43)55)36(57)47-25(5)41(62)63-27(7)35(40(61)51-32)49-31(56)22-28(54)18-16-14-12-10-8-9-11-13-15-17-21-46-42(44)45/h23-29,32-35,53-54H,8-22H2,1-7H3,(H2,43,55)(H,47,57)(H,48,60)(H,49,56)(H,50,58)(H,51,61)(H,52,59)(H4,44,45,46)/t25-,26+,27?,28?,29-,32-,33+,34-,35+/m1/s1
InChIKeyWDNFMLNXGKOBJN-QWDDQTKWSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.7164/antibiotics.50.220)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Fusaricidin B (CHEBI:198018) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,12S,15R,18S)-6-(3-amino-3-oxopropyl)-9-[(1S)-1-hydroxyethyl]-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-12,15-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
Manual XrefsDatabases
78436306ChemSpider