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CHEBI:210804 - NX-Triostin A

ChEBI IDCHEBI:210804
ChEBI NameNX-Triostin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H63N11O12S2
Net Charge0
Average Mass1086.264
Monoisotopic Mass1085.40991
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)c3cnc4ccccc4n3)C(=O)NC(C)C(=O)N2C)N(C)C1=O
InChIInChI=1S/C51H63N11O12S2/c1-26(2)40-50(71)73-22-36(57-42(63)31-19-30-15-11-12-16-32(30)52-20-31)44(65)54-28(5)46(67)59(7)38-24-75-76-25-39(48(69)61(40)9)60(8)47(68)29(6)55-45(66)37(23-74-51(72)41(27(3)4)62(10)49(38)70)58-43(64)35-21-53-33-17-13-14-18-34(33)56-35/h11-21,26-29,36-41H,22-25H2,1-10H3,(H,54,65)(H,55,66)(H,57,63)(H,58,64)
InChIKeyJRJXDTPAUFKSAL-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)
NX-Triostin A (CHEBI:210804) 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]quinoxaline-2-carboxamide
Manual XrefsDatabases
78444147ChemSpider