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CHEBI:223578 - Disorazole-D3

Default Structure
ChEBI IDCHEBI:223578
ChEBI NameDisorazole-D3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H56N2O11
Net Charge0
Average Mass776.924
Monoisotopic Mass776.38841
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C=C/C=CC(OC)Cc2nc(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/C43H56N2O11/c1-8-18-34(48)42(3,4)36-23-14-12-10-11-13-20-29(52-7)26-39-45-31(28-54-39)41(51)56-37(43(5,6)35(49)19-9-2)24-17-22-33(47)32(46)21-15-16-25-38-44-30(27-53-38)40(50)55-36/h8-22,25,27-29,32-37,46-49H,23-24,26H2,1-7H3/b11-10-,14-12-,18-8+,19-9+,20-13?,21-15-,22-17-,25-16-
InChIKeyUTZXDLCIVUPSDX-NCLZIQNTSA-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-D3 (CHEBI:223578) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(6Z,8Z,22Z,26Z,28Z)-24,25-dihydroxy-4,20-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-12-methoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.114,17]tetratriaconta-1(32),6,8,10,14(34),16,22,26,28,30(33)-decaene-2,18-dione