EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200956 - Pterulamide IV

ChEBI IDCHEBI:200956
ChEBI NamePterulamide IV
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H64N6O6
Net Charge0
Average Mass712.977
Monoisotopic Mass712.48873
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/c1ccccc1)C(C)C
InChIInChI=1S/C39H64N6O6/c1-15-26(7)33(35(47)40-10)44(13)38(50)31(24(3)4)41-36(48)32(25(5)6)43(12)39(51)34(27(8)16-2)45(14)37(49)28(9)42(11)30(46)23-22-29-20-18-17-19-21-29/h17-28,31-34H,15-16H2,1-14H3,(H,40,47)(H,41,48)/b23-22+/t26-,27-,28-,31-,32-,33-,34-/m0/s1
InChIKeyMTNPSCWSPJPMKI-ITPAOENGSA-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 IV (CHEBI:200956) 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-phenylprop-2-enoyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]butanoyl]amino]pentanamide
Manual XrefsDatabases
17250098ChemSpider