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CHEBI:222311 - Saframycin Mx1

ChEBI IDCHEBI:222311
ChEBI NameSaframycin Mx1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N4O9
Net Charge0
Average Mass586.642
Monoisotopic Mass586.26388
SMILESCOC1=C(C)C(=O)C2=C(C1=O)[C@H](CNC(=O)[C@H](C)N)N1[C@@H](O)[C@H]3[C@@H](OC)c4c(O)c(C)c(OC)c(O)c4[C@@H]([C@@H]1C2)N3C
InChIInChI=1S/C29H38N4O9/c1-10-21(34)13-8-14-19-17-18(22(35)11(2)26(41-6)24(17)37)27(42-7)20(32(19)4)29(39)33(14)15(9-31-28(38)12(3)30)16(13)23(36)25(10)40-5/h12,14-15,19-20,27,29,35,37,39H,8-9,30H2,1-7H3,(H,31,38)/t12-,14-,15-,19+,20+,27-,29-/m0/s1
InChIKeyQSLZNGPMBOCIAZ-QSNGQZDXSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (2459096)
ChEBI Ontology
Outgoing Relation(s)
Saframycin Mx1 (CHEBI:222311) is a amino acid amide (CHEBI:22475)
IUPAC Name 
(2S)-2-amino-N-[[(1S,2S,10R,12S,13R,14S)-12,16,19-trihydroxy-7,14,18-trimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
Manual XrefsDatabases
2300788ChemSpider