EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:198882 - Halovir A

ChEBI IDCHEBI:198882
ChEBI NameHalovir A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83N7O9
Net Charge0
Average Mass866.199
Monoisotopic Mass865.62523
SMILESCCCCCCCCCCCCCC(=O)NC(C)(C)C(=O)N1C[C@H](O)C[C@H]1C(=O)NC(CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(C)C)C(C)C
InChIInChI=1S/C45H83N7O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-38(56)51-45(8,9)44(61)52-27-33(54)26-36(52)42(59)49-35(25-30(4)5)41(58)50-39(31(6)7)43(60)48-34(22-23-37(46)55)40(57)47-32(28-53)24-29(2)3/h29-36,39,53-54H,10-28H2,1-9H3,(H2,46,55)(H,47,57)(H,48,60)(H,49,59)(H,50,58)(H,51,56)/t32-,33+,34-,35?,36-,39-/m0/s1
InChIKeyGRJSOZDXIUZXEW-PFTKNCRBSA-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 A (CHEBI:198882) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[[(2S)-2-[[2-[[(2S,4R)-4-hydroxy-1-[2-methyl-2-(tetradecanoylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]pentanediamide
Manual XrefsDatabases
78436418ChemSpider