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CHEBI:227818 - LI-F05a

ChEBI IDCHEBI:227818
ChEBI NameLI-F05a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H76N10O11
Net Charge0
Average Mass897.129
Monoisotopic Mass896.56950
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](C(C)C)NC(=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(C)O)NC1=O
InChIInChI=1S/C42H76N10O11/c1-8-24(4)33-38(59)52-34(26(6)53)39(60)48-29(22-30(43)55)36(57)47-25(5)41(62)63-27(7)35(40(61)50-32(23(2)3)37(58)51-33)49-31(56)21-28(54)19-17-15-13-11-9-10-12-14-16-18-20-46-42(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,50,61)(H,51,58)(H,52,59)(H4,44,45,46)/t24-,25+,26?,27+,28?,29+,32+,33-,34+,35-/m0/s1
InChIKeyFUNFDCQFOMBKRN-PAMCABBSSA-N
Species of MetaboliteComponentSourceComments
Paenibacillus polymyxa (ncbitaxon:1406) - 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-F05a (CHEBI:227818) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,12S,15R,18S,19R)-6-(2-amino-2-oxoethyl)-12-[(2S)-butan-2-yl]-9-(1-hydroxyethyl)-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
Manual XrefsDatabases
78442750ChemSpider