CHEBI:221778 - 26-deoxymonensin A

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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 26-deoxymonensin A
ChEBI ID CHEBI:221778
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H62O10
Net Charge 0
Average Mass 654.882
Monoisotopic Mass 654.43430
InChI InChI=1S/C36H62O10/c1-11-35(31-20(3)17-26(42-31)28-19(2)16-21(4)34(9,40)44-28)13-12-27(43-35)33(8)14-15-36(46-33)18-25(37)22(5)30(45-36)23(6)29(41-10)24(7)32(38)39/h19-31,37,40H,11-18H2,1-10H3,(H,38,39)/t19-,20-,21+,22+,23-,24-,25-,26+,27-,28-,29-,30-,31+,33-,34-,35+,36+/m0/s1
InChIKey GORGDRGXUKJXOM-OQKBIKENSA-N
SMILES O=C(O)[C@H]([C@@H](OC)[C@@H]([C@H]1O[C@]2(O[C@@]([C@H]3O[C@]([C@@H]4O[C@@H]([C@H]5O[C@](O)([C@H](C)C[C@@H]5C)C)C[C@@H]4C)(CC)CC3)(C)CC2)C[C@@H]([C@H]1C)O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
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 26-deoxymonensin A (CHEBI:221778) is a heterocyclic fatty acid (CHEBI:48847)
IUPAC Name
(2S,3S,4S)-4-[(2S,5R,7S,8R,9S)-2-[(2S,5R)-5-ethyl-5-[(2R,3S,5R)-5-[(2S,3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]-3-methyloxolan-2-yl]oxolan-2-yl]-7-hydroxy-2,8-dimethyl-1,10-dioxaspiro[4.5]decan-9-yl]-3-methoxy-2-methylpentanoic acid
Manual Xref Database
78442950 ChemSpider
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