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CHEBI:209884 - Disorazole-A2

Default Structure
ChEBI IDCHEBI:209884
ChEBI NameDisorazole-A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H52N2O10
Net Charge0
Average Mass744.882
Monoisotopic Mass744.36220
SMILESC/C=C/C(O)C(C)(C)C1C/C=C\C=C/C=C\C(O)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/C42H52N2O10/c1-7-17-33(46)41(3,4)35-22-13-11-9-10-12-19-28(45)25-38-44-30(27-51-38)40(49)54-36(42(5,6)34(47)18-8-2)23-16-21-32-31(52-32)20-14-15-24-37-43-29(26-50-37)39(48)53-35/h7-21,24,26-28,31-36,45-47H,22-23,25H2,1-6H3/b10-9-,13-11-,17-7+,18-8+,19-12-,20-14-,21-16-,24-15-
InChIKeyCXONDRPTMWQTGL-MOQVVRFQSA-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-A2 (CHEBI:209884) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2Z,4Z,9Z,21Z,23Z,25Z)-20-hydroxy-12,28-bis[(E)-3-hydroxy-2-methylhex-4-en-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
78444848ChemSpider