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CHEBI:223336 - Irumamycin

ChEBI IDCHEBI:223336
ChEBI NameIrumamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H65NO12
Net Charge0
Average Mass763.966
Monoisotopic Mass763.45068
SMILESCCC(=O)[C@]1(C)O[C@H]1[C@H](C)C[C@@H](C)[C@H]1OC(=O)C[C@]2(O)CC=C(C)[C@H](O2)/C(C)=C/CCC[C@@H](O[C@H]2C[C@H](OC(N)=O)[C@H](O)[C@H](C)O2)/C=C\[C@@H](C)[C@H](O)[C@@H]1C
InChIInChI=1S/C41H65NO12/c1-10-31(43)40(9)38(54-40)26(6)19-25(5)37-27(7)34(45)22(2)15-16-29(50-33-20-30(51-39(42)47)35(46)28(8)49-33)14-12-11-13-23(3)36-24(4)17-18-41(48,53-36)21-32(44)52-37/h13,15-17,22,25-30,33-38,45-46,48H,10-12,14,18-21H2,1-9H3,(H2,42,47)/b16-15-,23-13+/t22-,25-,26-,27+,28+,29-,30+,33+,34+,35-,36-,37-,38+,40+,41+/m1/s1
InChIKeyVROYMKJUVCKXBU-ZLVJMJMVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7076572)
ChEBI Ontology
Outgoing Relation(s)
Irumamycin (CHEBI:223336) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2S,3R,4S,6R)-6-[[(1S,5R,6S,7S,8R,9Z,11R,15E,17R)-1,7-dihydroxy-6,8,16,18-tetramethyl-5-[(2R,4R)-4-[(2S,3R)-3-methyl-3-propanoyloxiran-2-yl]pentan-2-yl]-3-oxo-4,21-dioxabicyclo[15.3.1]henicosa-9,15,18-trien-11-yl]oxy]-3-hydroxy-2-methyloxan-4-yl] carbamate
Manual XrefsDatabases
78443080ChemSpider