EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222596 - Muraminomicin H

ChEBI IDCHEBI:222596
ChEBI NameMuraminomicin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H85N5O23
Net Charge0
Average Mass1172.286
Monoisotopic Mass1171.56353
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](C)[C@H](OC)[C@@H](OC(=O)CCC(=O)O)[C@H]1OC
InChIInChI=1S/C54H85N5O23/c1-8-9-10-11-12-13-14-15-16-17-31(76-40(66)22-29(2)23-41(67)81-53-50(74-7)49(46(73-6)30(3)75-53)80-39(65)19-18-38(63)64)24-42(68)77-35-28-57(4)45(51(69)58(5)44(35)52(70)71)48(82-43-26-32(60)34(27-55)78-43)47-33(61)25-37(79-47)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
InChIKeyQLHNPXCYNWFUCR-SZIAXAPBSA-N
Species of MetaboliteComponentSourceComments
Streptosporangium (ncbitaxon:2000) - PubMed (31413314)
ChEBI Ontology
Outgoing Relation(s)
Muraminomicin H (CHEBI:222596) has functional parent pentacarboxylic acid (CHEBI:35743)
Muraminomicin H (CHEBI:222596) 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)-3,5-dimethoxy-6-methyloxan-2-yl]oxy-3-methyl-5-oxopentanoyl]oxytetradecanoyloxy]-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid