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CHEBI:218932 - Cordycommunin

ChEBI IDCHEBI:218932
ChEBI NameCordycommunin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H69N7O11
Net Charge0
Average Mass860.063
Monoisotopic Mass859.50551
SMILESCCCCCCCCCC1CCCC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)C)C(=O)O1
InChIInChI=1S/C43H69N7O11/c1-7-8-9-10-11-12-13-15-31-16-14-17-35(54)49-37(28(6)51)42(59)46-26(4)38(55)45-27(5)39(56)47-32(22-23-34(44)53)40(57)48-33(24-29-18-20-30(52)21-19-29)41(58)50-36(25(2)3)43(60)61-31/h18-21,25-28,31-33,36-37,51-52H,7-17,22-24H2,1-6H3,(H2,44,53)(H,45,55)(H,46,59)(H,47,56)(H,48,57)(H,49,54)(H,50,58)/t26-,27-,28+,31?,32-,33-,36-,37+/m0/s1
InChIKeyRNGNPXFWUBOPJZ-AXUOUUTOSA-N
Species of MetaboliteComponentSourceComments
Ophiocordyceps (ncbitaxon:474995) - PubMed (20028029)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cordycommunin (CHEBI:218932) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3S,6S,9S,12S,15S,18R)-18-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)methyl]-12,15-dimethyl-24-nonyl-2,5,8,11,14,17,20-heptaoxo-3-propan-2-yl-1-oxa-4,7,10,13,16,19-hexazacyclotetracos-9-yl]propanamide
Manual XrefsDatabases
24667135ChemSpider