EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214885 - TMC-34

ChEBI IDCHEBI:214885
ChEBI NameTMC-34
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H93N3O17
Net Charge0
Average Mass1056.342
Monoisotopic Mass1055.65050
SMILESCN=C(N)NCCC/C=C/CC/C=C(\C)CC(C)C1OC(=O)/C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(OC(=O)CC(=O)O)CC(O)CC(O)C(C)C(O)/C=C/C1C)CC(O)C2O
InChIInChI=1S/C54H93N3O17/c1-31(15-13-11-9-10-12-14-22-57-53(55)56-8)23-35(5)51-34(4)17-20-42(60)36(6)44(62)25-38(58)24-39(72-50(69)29-48(66)67)26-40-27-46(64)52(70)54(71,74-40)30-47(65)33(3)16-19-41(59)37(7)45(63)28-43(61)32(2)18-21-49(68)73-51/h9-10,15,17-18,20-21,32-47,51-52,58-65,70-71H,11-14,16,19,22-30H2,1-8H3,(H,66,67)(H3,55,56,57)/b10-9+,20-17+,21-18+,31-15+
InChIKeyVZRAWAPJMFPCNZ-SHTOUQPMSA-N
Species of MetaboliteComponentSourceComments
Actinomyces (ncbitaxon:1654) - PubMed (7490229)
ChEBI Ontology
Outgoing Relation(s)
TMC-34 (CHEBI:214885) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10E,16E)-5,7,9,19,21,23,27,29,30,31-decahydroxy-8,12,18,22,26-pentamethyl-13-[(4E,8E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodeca-4,8-dien-2-yl]-15-oxo-14,33-dioxabicyclo[27.3.1]tritriaconta-10,16-dien-3-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
78444305ChemSpider