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CHEBI:197916 - Pterulamide VI

ChEBI IDCHEBI:197916
ChEBI NamePterulamide VI
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H72N6O8
Net Charge0
Average Mass801.083
Monoisotopic Mass800.54116
SMILESCC[C@H](C)[C@@H](C(=O)N(C)[C@H](C(=O)O)C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)c1ccccc1)C(C)C
InChIInChI=1S/C43H72N6O8/c1-18-29(12)36(42(55)48(16)35(28(10)11)43(56)57)49(17)39(52)31(24(2)3)44-37(50)32(25(4)5)45(13)40(53)34(27(8)9)47(15)41(54)33(26(6)7)46(14)38(51)30-22-20-19-21-23-30/h19-29,31-36H,18H2,1-17H3,(H,44,50)(H,56,57)/t29-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKeyOJXSCBQWQXUTTR-ZBZKAUHLSA-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 VI (CHEBI:197916) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[benzoyl(methyl)amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylpentanoyl]-methylamino]-3-methylbutanoic acid
Manual XrefsDatabases
17250100ChemSpider