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CHEBI:204586 - Apratoxin G

ChEBI IDCHEBI:204586
ChEBI NameApratoxin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H67N5O8S
Net Charge0
Average Mass814.103
Monoisotopic Mass813.47104
SMILESCOc1ccc(C[C@@H]2NC(=O)/C(C)=C\C3CSC(=N3)[C@@H](C)[C@@H](O)C[C@H](C)C[C@@H](C(C)(C)C)OC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C)N(C)C2=O)cc1
InChIInChI=1S/C43H67N5O8S/c1-24(2)36-41(53)47(12)29(7)42(54)56-35(43(8,9)10)20-25(3)19-34(49)27(5)38-44-31(23-57-38)21-26(4)37(50)45-33(22-30-15-17-32(55-14)18-16-30)40(52)46(11)28(6)39(51)48(36)13/h15-18,21,24-25,27-29,31,33-36,49H,19-20,22-23H2,1-14H3,(H,45,50)/b26-21-/t25-,27-,28-,29-,31?,33-,34-,35-,36-/m0/s1
InChIKeyQYPABEUQMXOENV-NMOSBCMXSA-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 G (CHEBI:204586) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2Z,6S,9S,12S,15S,18S,20S,22S,23S)-18-tert-butyl-22-hydroxy-6-[(4-methoxyphenyl)methyl]-3,8,9,11,14,15,20,23-octamethyl-12-propan-2-yl-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
78439687ChemSpider