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CHEBI:212096 - Disorazole-C1

Default Structure
ChEBI IDCHEBI:212096
ChEBI NameDisorazole-C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H58N2O10
Net Charge0
Average Mass774.952
Monoisotopic Mass774.40915
SMILESC/C=C/C(O)C(C)(C)[C@@H]1C/C=C\C=C/C=C\[C@H](OC)Cc2nc(co2)C(=O)O[C@H](C(C)(C)C(O)/C=C/C)C/C=C\C=C/C=C[C@H](OC)Cc2nc(co2)C(=O)O1
InChIInChI=1S/C44H58N2O10/c1-9-21-35(47)43(3,4)37-25-19-15-11-13-17-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)22-10-2)26-20-16-12-14-18-24-31(51-7)27-39-45-33(29-53-39)41(49)55-37/h9-24,29-32,35-38,47-48H,25-28H2,1-8H3/b13-11-,14-12-,19-15-,20-16-,21-9+,22-10+,23-17-,24-18?/t31-,32-,35?,36?,37-,38-/m0/s1
InChIKeyFGVAPNZAWLGHCU-MIDAZISLSA-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-C1 (CHEBI:212096) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
(4S,6Z,8Z,10Z,12R,20S,22Z,24Z,28R)-4,20-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-12,28-dimethoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.114,17]tetratriaconta-1(32),6,8,10,14(34),16,22,24,26,30(33)-decaene-2,18-dione