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CHEBI:220013 - LI-F08b

ChEBI IDCHEBI:220013
ChEBI NameLI-F08b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H80N10O11
Net Charge0
Average Mass925.183
Monoisotopic Mass924.60080
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](CCC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC1=O
InChIInChI=1S/C44H80N10O11/c1-8-25(3)34-39(60)52-35(26(4)9-2)40(61)54-36(28(6)55)41(62)50-31(21-22-32(45)57)38(59)49-27(5)43(64)65-29(7)37(42(63)53-34)51-33(58)24-30(56)20-18-16-14-12-10-11-13-15-17-19-23-48-44(46)47/h25-31,34-37,55-56H,8-24H2,1-7H3,(H2,45,57)(H,49,59)(H,50,62)(H,51,58)(H,52,60)(H,53,63)(H,54,61)(H4,46,47,48)/t25-,26+,27-,28-,29-,30?,31-,34-,35+,36-,37+/m1/s1
InChIKeyVUFIBOZCWRWBJY-ZOHZGNRASA-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-F08b (CHEBI:220013) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,12S,15R,18S,19R)-6-(3-amino-3-oxopropyl)-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
78442861ChemSpider