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CHEBI:213061 - LI-F07a

ChEBI IDCHEBI:213061
ChEBI NameLI-F07a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76N10O11
Net Charge0
Average Mass945.173
Monoisotopic Mass944.56950
SMILESCC(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](CCc2ccccc2)NC1=O
InChIInChI=1S/C46H76N10O11/c1-27(2)37-42(63)52-33(23-22-31-19-15-14-16-20-31)40(61)56-38(29(4)57)43(64)53-34(26-35(47)59)41(62)51-28(3)45(66)67-30(5)39(44(65)55-37)54-36(60)25-32(58)21-17-12-10-8-6-7-9-11-13-18-24-50-46(48)49/h14-16,19-20,27-30,32-34,37-39,57-58H,6-13,17-18,21-26H2,1-5H3,(H2,47,59)(H,51,62)(H,52,63)(H,53,64)(H,54,60)(H,55,65)(H,56,61)(H4,48,49,50)/t28-,29-,30-,32?,33+,34-,37-,38-,39+/m1/s1
InChIKeyBBRGCPUXOUVUHQ-VNSQJUSDSA-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-F07a (CHEBI:213061) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3R,6R,9R,12S,15R,18S,19R)-6-(2-amino-2-oxoethyl)-9-[(1R)-1-hydroxyethyl]-3,19-dimethyl-2,5,8,11,14,17-hexaoxo-12-(2-phenylethyl)-15-propan-2-yl-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-15-(diaminomethylideneamino)-3-hydroxypentadecanamide
Manual XrefsDatabases
78442702ChemSpider