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CHEBI:222634 - Muraminomicin C

ChEBI IDCHEBI:222634
ChEBI NameMuraminomicin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H85N5O23
Net Charge0
Average Mass1184.297
Monoisotopic Mass1183.56353
SMILESCCCCCCCCC=CCC(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/C55H85N5O23/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/h16-17,21-22,30-36,38,44-51,54,61-62H,8-15,18-20,23-29,56H2,1-7H3,(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
InChIKeyJZHBYXXEEOMUJD-IPSUJDRFSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin C (CHEBI:222634) has functional parent pentacarboxylic acid (CHEBI:35743)
Muraminomicin C (CHEBI:222634) 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]oxytetradec-5-enoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid