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CHEBI:206157 - Malolactomycin C

ChEBI IDCHEBI:206157
ChEBI NameMalolactomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H109N3O20
Net Charge0
Average Mass1216.555
Monoisotopic Mass1215.76044
SMILESCN=C(N)NCCCCC/C=C(\C)CC(C)C1OC(=O)C(C)C(O)/C(C)=C\CC(O)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)CC(O)C(C)C(O)/C=C\C=C/C1C)CC(O)C2O
InChIInChI=1S/C62H109N3O20/c1-34(17-13-11-12-16-24-65-61(63)64-10)25-38(5)58-37(4)18-14-15-19-47(68)39(6)50(71)28-44(67)26-43(66)27-45(83-56(78)32-55(76)77)29-46-30-53(74)59(80)62(82,85-46)33-54(75)35(2)20-22-48(69)40(7)51(72)31-52(73)41(8)49(70)23-21-36(3)57(79)42(9)60(81)84-58/h14-15,17-19,21,35,37-54,57-59,66-75,79-80,82H,11-13,16,20,22-33H2,1-10H3,(H,76,77)(H3,63,64,65)/b18-14-,19-15-,34-17+,36-21-
InChIKeyXCVHAWZLPUJTAT-XAUKPKROSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.7164/antibiotics.50.194)
ChEBI Ontology
Outgoing Relation(s)
Malolactomycin C (CHEBI:206157) is a macrolide (CHEBI:25106)
IUPAC Name 
3-oxo-3-[[(12E,14E,22E)-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-17-[(E)-4-methyl-10-[(N'-methylcarbamimidoyl)amino]dec-4-en-2-yl]-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]propanoic acid