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CHEBI:204336 - Pterulamide II

ChEBI IDCHEBI:204336
ChEBI NamePterulamide II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H62N6O6S
Net Charge0
Average Mass682.973
Monoisotopic Mass682.44515
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)/C=C/SC)C(C)C
InChIInChI=1S/C34H62N6O6S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-47-15/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23-,24-,26-,27-,28-,29-/m0/s1
InChIKeySQFJGWYXJOVACU-GEDIHWQXSA-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 II (CHEBI:204336) is a peptide (CHEBI:16670)
IUPAC Name 
(2S,3S)-N,3-dimethyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[methyl-[(2S)-2-[methyl-[(E)-3-methylsulanylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide
Manual XrefsDatabases
17250096ChemSpider