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CHEBI:210186 - Pterulamide III

ChEBI IDCHEBI:210186
ChEBI NamePterulamide III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H62N6O6
Net Charge0
Average Mass686.939
Monoisotopic Mass686.47308
SMILESCC[C@H](C)[C@@H](C(=O)NC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C37H62N6O6/c1-15-24(7)30(32(44)38-10)42(13)36(48)28(22(3)4)39-33(45)29(23(5)6)41(12)37(49)31(25(8)16-2)43(14)34(46)26(9)40(11)35(47)27-20-18-17-19-21-27/h17-26,28-31H,15-16H2,1-14H3,(H,38,44)(H,39,45)/t24-,25-,26-,28-,29-,30-,31-/m0/s1
InChIKeyVUIRIWVOQOHERQ-NCAIPCCISA-N
Species of MetaboliteComponentSourceComments
Pterulaspecies (ncbitaxon:2040936) - PubMed (17067148)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pterulamide III (CHEBI:210186) is a peptide (CHEBI:16670)
IUPAC Name 
N-methyl-N-[(2S)-1-[methyl-[(2S,3S)-3-methyl-1-[methyl-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-[methyl-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]benzamide
Manual XrefsDatabases
17250097ChemSpider