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CHEBI:199454 - Antascomicin D

ChEBI IDCHEBI:199454
ChEBI NameAntascomicin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H55NO9
Net Charge0
Average Mass645.834
Monoisotopic Mass645.38768
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)N2CCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](O)C2)CC1
InChIInChI=1S/C36H55NO9/c1-22-10-7-5-6-8-12-28(38)25(4)32-18-14-24(3)36(44,46-32)33(41)34(42)37-19-9-11-27(37)35(43)45-31(17-13-22)23(2)20-26-15-16-29(39)30(40)21-26/h7-8,10,12,22-27,29-32,39-40,44H,5-6,9,11,13-21H2,1-4H3/b10-7-,12-8+/t22-,23-,24-,25+,26+,27+,29-,30-,31+,32+,36-/m1/s1
InChIKeyMEIQVKKSRNVISN-PNALVKLHSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8626235)
ChEBI Ontology
Outgoing Relation(s)
Antascomicin D (CHEBI:199454) is a lactam (CHEBI:24995)
Antascomicin D (CHEBI:199454) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,8S,11S,14S,15E,19E,22R,23S,26R)-11-[(2R)-1-[(1S,3R,4R)-3,4-dihydroxycyclohexyl]propan-2-yl]-1-hydroxy-14,22,26-trimethyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacosa-15,19-diene-2,3,9,21-tetrone
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78439603ChemSpider