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CHEBI:227654 - Disorazol A

Default Structure
ChEBI IDCHEBI:227654
ChEBI NameDisorazol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H54N2O10
Net Charge0
Average Mass758.909
Monoisotopic Mass758.37785
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\C2OC2/C=C/C=C\c2nc(co2)C(=O)O1
InChIInChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)36-23-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)55-37(43(5,6)35(47)19-9-2)24-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)54-36/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-
InChIKeyFRFRWOXVYJSPCG-KUALNVSNSA-N
Species of MetaboliteComponentSourceComments
Sorangium cellulosum (ncbitaxon:56) - PubMed (7868386)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Disorazol A (CHEBI:227654) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(2Z,4E,9Z,23Z,25Z)-12,28-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-20-methoxy-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