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CHEBI:197818 - Halovir C

Default Structure
ChEBI IDCHEBI:197818
ChEBI NameHalovir C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83N7O8
Net Charge0
Average Mass850.200
Monoisotopic Mass849.63031
SMILESCCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC(CCC(N)=O)C(=O)N[C@H](CO)CC(C)C)C(C)C
InChIInChI=1S/C45H83N7O8/c1-10-11-12-13-14-15-16-17-18-19-20-23-38(55)51-45(8,9)44(60)52-26-21-22-36(52)42(58)49-35(28-31(4)5)41(57)50-39(32(6)7)43(59)48-34(24-25-37(46)54)40(56)47-33(29-53)27-30(2)3/h30-36,39,53H,10-29H2,1-9H3,(H2,46,54)(H,47,56)(H,48,59)(H,49,58)(H,50,57)(H,51,55)/t33-,34?,35-,36-,39-/m0/s1
InChIKeyVCAGNEUDNVLWPT-WTPQGBEESA-N
Species of MetaboliteComponentSourceComments
Scytalidiumspecies (ncbitaxon:1715249) - PubMed (12951157)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Halovir C (CHEBI:197818) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S)-1-[2-methyl-2-(tetradecanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]amino]butanoyl]amino]pentanediamide
Manual XrefsDatabases
78436281ChemSpider