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CHEBI:206801 - Disorazole-B2

Default Structure
ChEBI IDCHEBI:206801
ChEBI NameDisorazole-B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H54N2O12
Net Charge0
Average Mass778.896
Monoisotopic Mass778.36768
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C(O)C(O)/C=C\C=C/c2nc(co2)C(=O)OC(C(C)(C)C(O)/C=C/C)C/C=C\C(O)C(O)/C=C\C=C/c2nc(co2)C(=O)O1
InChIInChI=1S/C42H54N2O12/c1-7-15-33(49)41(3,4)35-21-13-19-31(47)29(45)17-9-12-24-38-44-28(26-54-38)40(52)56-36(42(5,6)34(50)16-8-2)22-14-20-32(48)30(46)18-10-11-23-37-43-27(25-53-37)39(51)55-35/h7-20,23-26,29-36,45-50H,21-22H2,1-6H3/b15-7+,16-8+,17-9-,18-10-,19-13-,20-14-,23-11-,24-12-
InChIKeyTWOBBXUVAPLOSB-XIIYVMKPSA-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-B2 (CHEBI:206801) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(6Z,10Z,12Z,22Z,26Z,28Z)-8,9,24,25-tetrahydroxy-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),6,10,12,14(34),16,22,26,28,30(33)-decaene-2,18-dione
Manual XrefsDatabases
78444880ChemSpider