CHEBI:203860 - Disorazole-C2

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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-C2
ChEBI ID CHEBI:203860
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H58N2O10
Net Charge 0
Average Mass 774.952
Monoisotopic Mass 774.40915
InChI InChI=1S/C44H58N2O10/c1-9-20-35(47)43(3,4)37-25-17-13-11-12-15-23-32(52-8)28-40-46-34(30-54-40)42(50)56-38(44(5,6)36(48)21-10-2)26-19-24-31(51-7)22-16-14-18-27-39-45-33(29-53-39)41(49)55-37/h9-24,29-32,35-38,47-48H,25-28H2,1-8H3/b12-11-,17-13-,18-14-,20-9+,21-10+,22-16-,23-15?,24-19-
InChIKey TYQJSUQHTRMHHX-PWJNQAGBSA-N
SMILES O=C1OC(C(C(O)/C=C/C)(C)C)CC=CC=CC=CC(OC)CC=2OC=C(N2)C(=O)OC(CC=CC(C=CC=CCC3=NC1=CO3)OC)C(C(O)/C=C/C)(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-C2 (CHEBI:203860) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name
(6Z,8Z,22Z,25Z,27Z)-4,20-bis[(E)-3-hydroxy-2-methylhex-4-en-2-yl]-12,24-dimethoxy-3,15,19,31-tetraoxa-33,34-diazatricyclo[28.2.1.114,17]tetratriaconta-1(32),6,8,10,14(34),16,22,25,27,30(33)-decaene-2,18-dione