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CHEBI:214400 - Disorazole-F2

Default Structure
ChEBI IDCHEBI:214400
ChEBI NameDisorazole-F2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H52N2O9
Net Charge0
Average Mass728.883
Monoisotopic Mass728.36728
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C=C/C=C\C(O)Cc2nc(co2)C(=O)OC(C(C)(C)C(O)/C=C/C)C/C=C\C=C/C=C\C=C/c2nc(co2)C(=O)O1
InChIInChI=1S/C42H52N2O9/c1-7-21-33(46)41(3,4)35-25-19-15-12-13-17-23-30(45)27-38-44-32(29-51-38)40(49)53-36(42(5,6)34(47)22-8-2)24-18-14-10-9-11-16-20-26-37-43-31(28-50-37)39(48)52-35/h7-23,26,28-30,33-36,45-47H,24-25,27H2,1-6H3/b10-9-,13-12-,16-11-,18-14-,19-15-,21-7+,22-8+,23-17-,26-20-
InChIKeyYITGJNBXENDXFQ-WFTUOMKTSA-N
Species of MetaboliteComponentSourceComments
Sorangium (ncbitaxon:39643) - DOI (10.1002/jlac.199419940802)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Disorazole-F2 (CHEBI:214400) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(6Z,8Z,10Z,12Z,22Z,24Z,26Z)-28-hydroxy-4,20-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.114,17]tetratriaconta-1(32),6,8,10,12,14(34),16,22,24,26,30(33)-undecaene-2,18-dione
Manual XrefsDatabases
78444860ChemSpider