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CHEBI:201058 - Antascomicin A

ChEBI IDCHEBI:201058
ChEBI NameAntascomicin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57NO9
Net Charge0
Average Mass659.861
Monoisotopic Mass659.40333
SMILESC[C@@H]1/C=C\CC/C=C/C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)C2)CC1
InChIInChI=1S/C37H57NO9/c1-23-11-7-5-6-8-13-29(39)26(4)33-19-15-25(3)37(45,47-33)34(42)35(43)38-20-10-9-12-28(38)36(44)46-32(18-14-23)24(2)21-27-16-17-30(40)31(41)22-27/h7-8,11,13,23-28,30-33,40-41,45H,5-6,9-10,12,14-22H2,1-4H3/b11-7-,13-8+/t23-,24-,25-,26+,27+,28+,30-,31-,32+,33+,37-/m1/s1
InChIKeyTZXXJSXEDDLWPB-ZIDYLLCESA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8626235)
ChEBI Ontology
Outgoing Relation(s)
Antascomicin A (CHEBI:201058) is a lactam (CHEBI:24995)
Antascomicin A (CHEBI:201058) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-12-[(2R)-1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]propan-2-yl]-1-hydroxy-15,23,27-trimethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone
Manual XrefsDatabases
78439622ChemSpider