EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200534 - Disorazole-E1

Default Structure
ChEBI IDCHEBI:200534
ChEBI NameDisorazole-E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O11
Net Charge0
Average Mass774.908
Monoisotopic Mass774.37276
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C2OC2C=CC(OC)Cc2nc(co2)C(=O)OC(C(C)(C)C(O)/C=C/C)C/C=C\C2OC2/C=C\C=C/c2nc(co2)C(=O)O1
InChIInChI=1S/C43H54N2O11/c1-8-14-34(46)42(3,4)36-20-13-18-32-33(54-32)23-22-27(50-7)24-39-45-29(26-52-39)41(49)56-37(43(5,6)35(47)15-9-2)19-12-17-31-30(53-31)16-10-11-21-38-44-28(25-51-38)40(48)55-36/h8-18,21-23,25-27,30-37,46-47H,19-20,24H2,1-7H3/b14-8+,15-9+,16-10-,17-12-,18-13-,21-11-,23-22?
InChIKeyDUKYFBNEOVBQQG-IGVLGHSXSA-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-E1 (CHEBI:200534) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2Z,4Z,9Z,26Z)-12,29-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-7,13,17,24,30,34-hexaoxa-35,36-diazapentacyclo[30.2.1.115,18.06,8.023,25]hexatriaconta-1(35),2,4,9,15,18(36),21,26,32-nonaene-14,31-dione