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CHEBI:221187 - Disorazole-G1

Default Structure
ChEBI IDCHEBI:221187
ChEBI NameDisorazole-G1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O10
Net Charge0
Average Mass758.909
Monoisotopic Mass758.37785
SMILESC/C=C/C(O)C(C)(C)C1CC=CC2OC2C=CC=Cc2nc(co2)C(=O)OC(/C=C/C)C(C)(C)C(O)CC=CC=CC=CC(OC)Cc2nc(co2)C(=O)O1
InChIInChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)37-24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36(19-9-2)43(5,6)35(47)23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37/h8-22,25,27-29,32-37,46-47H,23-24,26H2,1-7H3/b11-10?,14-12?,18-8+,19-9+,20-13?,21-15?,22-17?,25-16?
InChIKeyKFFSKLBRJGPDEZ-GIZBCDPESA-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-G1 (CHEBI:221187) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
28-hydroxy-12-[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-29,29-dimethyl-30-[(E)-prop-1-enyl]-7,13,17,31,35-pentaoxa-36,37-diazatetracyclo[31.2.1.115,18.06,8]heptatriaconta-1(36),2,4,9,15,18(37),21,23,25,33-decaene-14,32-dione