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CHEBI:222659 - Muraminomicin F

ChEBI IDCHEBI:222659
ChEBI NameMuraminomicin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H87N5O23
Net Charge0
Average Mass1186.313
Monoisotopic Mass1185.57918
SMILESCCCCCCCCCCCC(CC(=O)OC1CN(C)C(C(O[C@H]2C[C@H](O)[C@@H](CN)O2)[C@H]2O[C@@H](n3ccc(=O)nc3=O)C[C@@H]2O)C(=O)N(C)C1C(=O)O)OC(=O)CC(C)CC(=O)O[C@@H]1O[C@@H](CC)[C@H](OC)[C@@H](OC(=O)CCC(=O)O)[C@H]1OC
InChIInChI=1S/C55H87N5O23/c1-8-10-11-12-13-14-15-16-17-18-31(76-41(67)23-30(3)24-42(68)82-54-51(75-7)50(48(74-6)34(9-2)79-54)81-40(66)20-19-39(64)65)25-43(69)77-36-29-58(4)46(52(70)59(5)45(36)53(71)72)49(83-44-27-32(61)35(28-56)78-44)47-33(62)26-38(80-47)60-22-21-37(63)57-55(60)73/h21-22,30-36,38,44-51,54,61-62H,8-20,23-29,56H2,1-7H3,(H,64,65)(H,71,72)(H,57,63,73)/t30?,31?,32-,33-,34-,35+,36?,38+,44-,45?,46?,47-,48-,49?,50+,51+,54-/m0/s1
InChIKeyNFLAQRQUPWGKJN-CHFJNQTASA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin F (CHEBI:222659) has functional parent pentacarboxylic acid (CHEBI:35743)
Muraminomicin F (CHEBI:222659) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-6-[3-[5-[(2S,3R,4R,5S,6S)-4-(3-carboxypropanoyloxy)-6-ethyl-3,5-dimethoxyoxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid