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CHEBI:213816 - LI-F05b

ChEBI IDCHEBI:213816
ChEBI NameLI-F05b
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H78N10O11
Net Charge0
Average Mass911.156
Monoisotopic Mass910.58515
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](CCC(N)=O)NC(=O)[C@@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C43H78N10O11/c1-8-25(4)34-39(60)53-35(27(6)54)40(61)49-30(20-21-31(44)56)37(58)48-26(5)42(63)64-28(7)36(41(62)51-33(24(2)3)38(59)52-34)50-32(57)23-29(55)19-17-15-13-11-9-10-12-14-16-18-22-47-43(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,51,62)(H,52,59)(H,53,60)(H4,45,46,47)/t25-,26+,27+,28+,29?,30+,33+,34-,35+,36-/m0/s1
InChIKeyGKWWTPHJRROIAZ-LCACSMQISA-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-F05b (CHEBI:213816) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,12S,15R,18S,19R)-6-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-9-[(1R)-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
10195050ChemSpider