EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:220007 - LI-F08a

ChEBI IDCHEBI:220007
ChEBI NameLI-F08a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78N10O11
Net Charge0
Average Mass911.156
Monoisotopic Mass910.58515
SMILESCC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)CC(O)CCCCCCCCCCCCN=C(N)N)[C@@H](C)OC(=O)[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O
InChIInChI=1S/C43H78N10O11/c1-8-24(3)33-38(59)51-34(25(4)9-2)39(60)53-35(27(6)54)40(61)49-30(23-31(44)56)37(58)48-26(5)42(63)64-28(7)36(41(62)52-33)50-32(57)22-29(55)20-18-16-14-12-10-11-13-15-17-19-21-47-43(45)46/h24-30,33-36,54-55H,8-23H2,1-7H3,(H2,44,56)(H,48,58)(H,49,61)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H4,45,46,47)/t24-,25+,26-,27-,28-,29?,30-,33-,34+,35-,36+/m1/s1
InChIKeyOVCBAIDIGSSWQK-KDSJKERTSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - DOI (10.3987/com-00-8922)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
LI-F08a (CHEBI:220007) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,12S,15R,18S,19R)-6-(2-amino-2-oxoethyl)-15-[(2R)-butan-2-yl]-12-[(2S)-butan-2-yl]-9-[(1R)-1-hydroxyethyl]-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
Manual XrefsDatabases
78442860ChemSpider