CHEBI:226149 - Disorazole-G2

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Disorazole-G2
ChEBI ID CHEBI:226149
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H54N2O10
Net Charge 0
Average Mass 758.909
Monoisotopic Mass 758.37785
InChI InChI=1S/C43H54N2O10/c1-8-18-34(46)42(3,4)37-24-14-12-10-11-13-20-29(50-7)26-39-45-31(28-52-39)41(49)54-36(19-9-2)43(5,6)35(47)23-17-22-33-32(53-33)21-15-16-25-38-44-30(27-51-38)40(48)55-37/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?
InChIKey XEVJRQFVFSNVAF-GIZBCDPESA-N
SMILES O=C1OC(/C=C/C)C(C(O)CC=CC2OC2C=CC=CC=3OC=C(N3)C(OC(CC=CC=CC=CC(CC4=NC1=CO4)OC)C(C(O)/C=C/C)(C)C)=O)(C)C
Metabolite of Species Details
Sorangium (NCBI:txid39643) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Disorazole-G2 (CHEBI:226149) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name
12-hydroxy-30-[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-22-methoxy-13,13-dimethyl-14-[(E)-prop-1-enyl]-7,15,19,31,35-pentaoxa-36,37-diazatetracyclo[31.2.1.117,20.06,8]heptatriaconta-1(36),2,4,9,17,20(37),23,25,27,33-decaene-16,32-dione