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CHEBI:204630 - Aurantimycin B

ChEBI IDCHEBI:204630
ChEBI NameAurantimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H62N8O14
Net Charge0
Average Mass854.956
Monoisotopic Mass854.43855
SMILESCOC[C@H]1C(=O)NCC(=O)N2N=CCC[C@H]2C(=O)N(O)[C@H](C)C(=O)O[C@@H](C(C)C)[C@H](NC(=O)[C@](C)(O)[C@]2(O)CC[C@@H](CC(C)C)[C@H](C)O2)C(=O)N2NCCC[C@@H]2C(=O)N1O
InChIInChI=1S/C38H62N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h15,20-27,29-30,41,54-57H,9-14,16-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25+,26-,27+,29+,30+,37+,38+/m1/s1
InChIKeyHLRDKYXEOKTOGL-NSCUIBACSA-N
Species of MetaboliteComponentSourceComments
Streptomyces aurantiacus JA 4570 (ncbitaxon:1286094) - PubMed (7706121)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aurantimycin B (CHEBI:204630) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(2R)-N-[(6S,9R,16S,17S,20R,23S)-7,21-dihydroxy-6-(methoxymethyl)-20-methyl-2,5,8,15,19,22-hexaoxo-17-propan-2-yl-18-oxa-1,4,7,13,14,21,27-heptazatricyclo[21.4.0.09,14]heptacos-26-en-16-yl]-2-hydroxy-2-[(2S,5S,6S)-2-hydroxy-6-methyl-5-(2-methylpropyl)oxan-2-yl]propanamide
Manual XrefsDatabases
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