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CHEBI:222648 - Muraminomicin E1

ChEBI IDCHEBI:222648
ChEBI NameMuraminomicin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H87N5O23
Net Charge0
Average Mass1186.313
Monoisotopic Mass1185.57918
SMILESCCC1OC(OC(=O)CC(C)CC(=O)OC(CCCCCCCCC(C)C)CC(=O)OC2CN(C)C(C(O[C@H]3C[C@H](O)[C@@H](CN)O3)[C@H]3O[C@@H](n4ccc(=O)nc4=O)C[C@@H]3O)C(=O)N(C)C2C(=O)O)C(OC)C(OC(=O)CCC(=O)O)C1OC
InChIInChI=1S/C55H87N5O23/c1-9-34-48(74-7)50(81-40(66)19-18-39(64)65)51(75-8)54(79-34)82-42(68)23-30(4)22-41(67)76-31(17-15-13-11-10-12-14-16-29(2)3)24-43(69)77-36-28-58(5)46(52(70)59(6)45(36)53(71)72)49(83-44-26-32(61)35(27-56)78-44)47-33(62)25-38(80-47)60-21-20-37(63)57-55(60)73/h20-21,29-36,38,44-51,54,61-62H,9-19,22-28,56H2,1-8H3,(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
InChIKeyAOVUYWDHRJJSCT-IPSUJDRFSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin E1 (CHEBI:222648) has functional parent pentacarboxylic acid (CHEBI:35743)
Muraminomicin E1 (CHEBI:222648) 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]oxy-12-methyltridecanoyl]oxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid