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CHEBI:213948 - Verlamelin B

ChEBI IDCHEBI:213948
ChEBI NameVerlamelin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H69N7O11
Net Charge0
Average Mass872.074
Monoisotopic Mass871.50551
SMILESCCCCCCCCC[C@H]1CCCC(=O)N[C@H](CO)C(=O)N[C@H](C)C(=O)N2CCC[C@H]2C(=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/C44H69N7O11/c1-5-6-7-8-9-10-11-14-31-15-12-17-37(55)47-34(26-52)41(58)46-28(4)43(60)51-24-13-16-35(51)42(59)48-32(22-23-36(45)54)39(56)49-33(25-29-18-20-30(53)21-19-29)40(57)50-38(27(2)3)44(61)62-31/h18-21,27-28,31-35,38,52-53H,5-17,22-26H2,1-4H3,(H2,45,54)(H,46,58)(H,47,55)(H,48,59)(H,49,56)(H,50,57)/t28-,31+,32+,33-,34-,35+,38+/m1/s1
InChIKeyWLEVFTWABMMUQJ-JFIQTRDHSA-N
Species of MetaboliteComponentSourceComments
Lecanicilliumspecies HF627 (ncbitaxon:1411983) - PubMed (24690913)
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 B (CHEBI:213948) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
3-[(3R,6R,12S,15S,18R,21S,24S)-6-(hydroxymethyl)-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
78438574ChemSpider