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CHEBI:198847 - Pteratide III

ChEBI IDCHEBI:198847
ChEBI NamePteratide III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H66N6O8
Net Charge0
Average Mass819.057
Monoisotopic Mass818.49421
SMILESCC(C)C[C@H]1C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C)[C@H](N(C)C(=O)c2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N1C
InChIInChI=1S/C45H66N6O8/c1-26(2)24-34-42(55)50(12)37(29(7)8)45(58)59-30(9)38(51(13)41(54)32-22-18-15-19-23-32)44(57)48(10)33(25-31-20-16-14-17-21-31)39(52)46-35(27(3)4)40(53)47-36(28(5)6)43(56)49(34)11/h14-23,26-30,33-38H,24-25H2,1-13H3,(H,46,52)(H,47,53)/t30-,33+,34+,35+,36+,37+,38+/m1/s1
InChIKeyLADMLLPYHUPPPJ-IHDHTLQOSA-N
Species of MetaboliteComponentSourceComments
Pterulaspecies (ncbitaxon:2040936) - PubMed (17025281)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pteratide III (CHEBI:198847) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[(3S,6S,9S,12S,15S,18S,19R)-15-benzyl-4,7,16,19-tetramethyl-6-(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-3,9,12-tri(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]-N-methylbenzamide
Manual XrefsDatabases
10148202ChemSpider