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CHEBI:200233 - Disorazole I

Default Structure
ChEBI IDCHEBI:200233
ChEBI NameDisorazole I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O10
Net Charge0
Average Mass758.909
Monoisotopic Mass758.37785
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C2OC2/C=C\C=C/c2nc(co2)C(=O)OC(C(C)(C)C(=O)CCC)C/C=C\C=C/C=C\C(OC)Cc2nc(co2)C(=O)O1
InChIInChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)36-23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37(43(5,6)35(47)19-9-2)24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36/h9-17,19-22,25,27-29,32-33,35-37,47H,8,18,23-24,26H2,1-7H3/b11-10-,14-12-,19-9+,20-13-,21-15-,22-17-,25-16-
InChIKeyKOFURPHXNHQYMC-KCZHBHSISA-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 I (CHEBI:200233) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2Z,4Z,9Z,21Z,23Z,25Z)-12-[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-28-(2-methyl-3-oxohexan-2-yl)-7,13,17,29,33-pentaoxa-34,35-diazatetracyclo[29.2.1.115,18.06,8]pentatriaconta-1(34),2,4,9,15,18(35),21,23,25,31-decaene-14,30-dione
Manual XrefsDatabases
78444770ChemSpider