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CHEBI:220108 - Verlamelin

ChEBI IDCHEBI:220108
ChEBI NameVerlamelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H71N7O11
Net Charge0
Average Mass886.101
Monoisotopic Mass885.52116
SMILESCCCCCCCCCC1CCCC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCCC2C(=O)NC(CCC(N)=O)C(=O)NC(Cc2ccc(O)cc2)C(=O)NC(C(C)C)C(=O)O1
InChIInChI=1S/C45H71N7O11/c1-6-7-8-9-10-11-12-15-32-16-13-18-37(56)50-39(29(5)53)43(60)47-28(4)44(61)52-25-14-17-35(52)42(59)48-33(23-24-36(46)55)40(57)49-34(26-30-19-21-31(54)22-20-30)41(58)51-38(27(2)3)45(62)63-32/h19-22,27-29,32-35,38-39,53-54H,6-18,23-26H2,1-5H3,(H2,46,55)(H,47,60)(H,48,59)(H,49,57)(H,50,56)(H,51,58)
InChIKeySORSHHMYDAJYHQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Simplicillium lamellicola (ncbitaxon:93593) - PubMed (3818450)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Verlamelin (CHEBI:220108) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[6-(1-hydroxyethyl)-18-[(4-hydroxyphenyl)methyl]-3-methyl-12-nonyl-2,5,8,14,17,20,23-heptaoxo-15-propan-2-yl-13-oxa-1,4,7,16,19,22-hexazabicyclo[22.3.0]heptacosan-21-yl]propanamide
Manual XrefsDatabases
78444439ChemSpider