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CHEBI:222653 - Muraminomicin E2

ChEBI IDCHEBI:222653
ChEBI NameMuraminomicin E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H87N5O23
Net Charge0
Average Mass1198.324
Monoisotopic Mass1197.57918
SMILESCCCCCCC/C=C\CCCC(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)OC1OC(CC)C(OC)C(OC(=O)CCC(=O)O)C1OC
InChIInChI=1S/C56H87N5O23/c1-8-10-11-12-13-14-15-16-17-18-19-32(77-42(68)24-31(3)25-43(69)83-55-52(76-7)51(49(75-6)35(9-2)80-55)82-41(67)21-20-40(65)66)26-44(70)78-37-30-59(4)47(53(71)60(5)46(37)54(72)73)50(84-45-28-33(62)36(29-57)79-45)48-34(63)27-39(81-48)61-23-22-38(64)58-56(61)74/h15-16,22-23,31-37,39,45-52,55,62-63H,8-14,17-21,24-30,57H2,1-7H3,(H,65,66)(H,72,73)(H,58,64,74)/b16-15-/t31?,32?,33-,34-,35?,36+,37?,39+,45-,46?,47?,48-,49?,50?,51?,52?,55?/m0/s1
InChIKeyFXULNNBFDDQMJX-DIGPZBIYSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin E2 (CHEBI:222653) has functional parent pentacarboxylic acid (CHEBI:35743)
Muraminomicin E2 (CHEBI:222653) 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-[(Z)-3-[5-[4-(3-carboxypropanoyloxy)-6-ethyl-3,5-dimethoxyoxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxypentadec-7-enoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid