CHEBI:222627 - Desertomycin A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Desertomycin A
ChEBI ID CHEBI:222627
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H109NO21
Net Charge 0
Average Mass 1192.529
Monoisotopic Mass 1191.74921
InChI InChI=1S/C61H109NO21/c1-32-15-10-11-19-47(70)38(7)55(75)33(2)16-12-17-35(4)60(80)81-51(37(6)46(69)20-14-24-62)21-13-18-41(64)26-42(65)28-48(71)39(8)56(76)40(9)49(72)29-43(66)27-44(67)30-50(73)52(25-36(5)54(74)34(3)22-23-45(32)68)82-61-59(79)58(78)57(77)53(31-63)83-61/h10,13,15,17-18,22-23,25,32-34,37-59,61,63-79H,11-12,14,16,19-21,24,26-31,62H2,1-9H3/t32?,33?,34?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52?,53-,54?,55?,56?,57-,58+,59+,61+/m1/s1
InChIKey FKPDQSQJNFFSAS-BURXMLRQSA-N
SMILES O=C1OC(C(C(O)CCCN)C)CC=CC(O)CC(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)C(O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@@H]2O)O)CO)C=C(C(C(C=CC(C(C=CCCC(C(C(C(CCC=C1C)C)O)C)O)C)O)C)O)C)C)C
Metabolite of Species Details
Streptomyces flavofungini (NCBI:txid68200) See: PubMed
ChEBI Ontology
Outgoing Desertomycin A (CHEBI:222627) is a macrolide (CHEBI:25106)
IUPAC Name
42-(6-amino-3-hydroxyhexan-2-yl)-8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one