EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:206946 - Disorazole H

Default Structure
ChEBI IDCHEBI:206946
ChEBI NameDisorazole H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O11
Net Charge0
Average Mass774.908
Monoisotopic Mass774.37276
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)CC2OC2C2OC2/C=C/C=C\c2nc(co2)C(=O)O1
InChIInChI=1S/C43H54N2O11/c1-8-17-32(46)42(3,4)34-21-14-12-10-11-13-19-27(50-7)23-37-45-29(26-52-37)41(49)56-35(43(5,6)33(47)18-9-2)24-31-39(54-31)38-30(53-38)20-15-16-22-36-44-28(25-51-36)40(48)55-34/h8-20,22,25-27,30-35,38-39,46-47H,21,23-24H2,1-7H3/b11-10-,14-12-,17-8+,18-9+,19-13?,20-15+,22-16-
InChIKeyQBKIVBASHDDBID-CLXWHGGYSA-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 H (CHEBI:206946) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(12E,14Z,24Z,26Z)-4,22-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-30-methoxy-3,7,10,17,21,33-hexaoxa-35,36-diazapentacyclo[30.2.1.116,19.06,8.09,11]hexatriaconta-1(34),12,14,16(36),18,24,26,28,32(35)-nonaene-2,20-dione