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CHEBI:217932 - Apratoxin F

ChEBI IDCHEBI:217932
ChEBI NameApratoxin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H69N5O8S
Net Charge0
Average Mass828.130
Monoisotopic Mass827.48669
SMILESCC[C@H](C)[C@H]1C(=O)N(C)[C@@H](C)C(=O)O[C@H](C(C)(C)C)C[C@@H](C)C[C@H](O)[C@H](C)C2=NC(/C=C(/C)C(=O)N[C@@H](Cc3ccc(OC)cc3)C(=O)N(C)[C@@H](C)C(=O)N1C)CS2
InChIInChI=1S/C44H69N5O8S/c1-15-26(3)37-42(54)48(12)30(7)43(55)57-36(44(8,9)10)21-25(2)20-35(50)28(5)39-45-32(24-58-39)22-27(4)38(51)46-34(23-31-16-18-33(56-14)19-17-31)41(53)47(11)29(6)40(52)49(37)13/h16-19,22,25-26,28-30,32,34-37,50H,15,20-21,23-24H2,1-14H3,(H,46,51)/b27-22-/t25-,26-,28-,29-,30-,32?,34-,35-,36-,37-/m0/s1
InChIKeyBAYCKSGCVUIVNR-MJEAVDSUSA-N
Species of MetaboliteComponentSourceComments
Lyngbya (ncbitaxon:28073) - PubMed (20512792)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Apratoxin F (CHEBI:217932) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2Z,6S,9S,12S,15S,18S,20S,22S,23S)-12-[(2S)-butan-2-yl]-18-tert-butyl-22-hydroxy-6-[(4-methoxyphenyl)methyl]-3,8,9,11,14,15,20,23-octamethyl-17-oxa-25-thia-5,8,11,14,27-pentazabicyclo[22.2.1]heptacosa-2,24(27)-diene-4,7,10,13,16-pentone
Manual XrefsDatabases
78439797ChemSpider