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CHEBI:199455 - Antascomicin B

ChEBI IDCHEBI:199455
ChEBI NameAntascomicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57NO10
Net Charge0
Average Mass675.860
Monoisotopic Mass675.39825
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)[C@H]2O)CC1
InChIInChI=1S/C37H57NO10/c1-22-11-7-5-6-8-13-28(39)25(4)31-19-15-24(3)37(46,48-31)34(43)35(44)38-20-10-9-12-27(38)36(45)47-30(18-14-22)23(2)21-26-16-17-29(40)33(42)32(26)41/h7-8,11,13,22-27,29-33,40-42,46H,5-6,9-10,12,14-21H2,1-4H3/b11-7-,13-8+/t22-,23-,24-,25+,26+,27+,29-,30+,31+,32+,33+,37-/m1/s1
InChIKeyPSAJCYLXNSDJCJ-HHNNGJIGSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (8626235)
ChEBI Ontology
Outgoing Relation(s)
Antascomicin B (CHEBI:199455) is a lactam (CHEBI:24995)
Antascomicin B (CHEBI:199455) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12S,15S,16E,20E,23R,24S,27R)-1-hydroxy-15,23,27-trimethyl-12-[(2R)-1-[(1S,2S,3S,4R)-2,3,4-trihydroxycyclohexyl]propan-2-yl]-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-16,20-diene-2,3,10,22-tetrone
Manual XrefsDatabases
9402752ChemSpider