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CHEBI:217095 - QN-Triostin A

ChEBI IDCHEBI:217095
ChEBI NameQN-Triostin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H64N10O12S2
Net Charge0
Average Mass1085.276
Monoisotopic Mass1084.41466
SMILESCC1NC(=O)C(NC(=O)c2cnc3ccccc3c2)COC(=O)C(C(C)C)N(C)C(=O)C2CSSCC(C(=O)N(C)C(C(C)C)C(=O)OCC(NC(=O)c3cnc4ccccc4c3)C(=O)NC(C)C(=O)N2C)N(C)C1=O
InChIInChI=1S/C52H64N10O12S2/c1-27(2)41-51(71)73-23-37(57-43(63)33-19-31-15-11-13-17-35(31)53-21-33)45(65)55-30(6)48(68)60(8)40-26-76-75-25-39(49(69)61(41)9)59(7)47(67)29(5)56-46(66)38(24-74-52(72)42(28(3)4)62(10)50(40)70)58-44(64)34-20-32-16-12-14-18-36(32)54-22-34/h11-22,27-30,37-42H,23-26H2,1-10H3,(H,55,65)(H,56,66)(H,57,63)(H,58,64)
InChIKeyLZFWSUQFHUIRQQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (5708318)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
QN-Triostin A (CHEBI:217095) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
N-[2,4,12,15,17,25-hexamethyl-3,6,10,13,16,19,23,26-octaoxo-11,24-di(propan-2-yl)-20-(quinoline-3-carbonylamino)-9,22-dioxa-28,29-dithia-2,5,12,15,18,25-hexazabicyclo[12.12.4]triacontan-7-yl]quinoline-3-carboxamide
Manual XrefsDatabases
78444429ChemSpider