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CHEBI:222628 - Muraminomicin B

ChEBI IDCHEBI:222628
ChEBI NameMuraminomicin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H85N5O23
Net Charge0
Average Mass1172.286
Monoisotopic Mass1171.56353
SMILESCCCCCCCCCCC(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/C54H85N5O23/c1-8-10-11-12-13-14-15-16-17-30(75-40(66)22-29(3)23-41(67)81-53-50(74-7)49(47(73-6)33(9-2)78-53)80-39(65)19-18-38(63)64)24-42(68)76-35-28-57(4)45(51(69)58(5)44(35)52(70)71)48(82-43-26-31(60)34(27-55)77-43)46-32(61)25-37(79-46)59-21-20-36(62)56-54(59)72/h20-21,29-35,37,43-50,53,60-61H,8-19,22-28,55H2,1-7H3,(H,63,64)(H,70,71)(H,56,62,72)/t29?,30?,31-,32-,33?,34+,35?,37+,43-,44?,45?,46-,47?,48?,49?,50?,53?/m0/s1
InChIKeyRAMUMLAKGUHXBF-OWBPSHCYSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin B (CHEBI:222628) has functional parent pentacarboxylic acid (CHEBI:35743)
Muraminomicin B (CHEBI:222628) 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-[4-(3-carboxypropanoyloxy)-6-ethyl-3,5-dimethoxyoxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxytridecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid