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CHEBI:210292 - Malolactomycin D

ChEBI IDCHEBI:210292
ChEBI NameMalolactomycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H107N3O20
Net Charge0
Average Mass1202.528
Monoisotopic Mass1201.74479
SMILESC/C1=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/C(C)C(C(C)C/C(C)=C/CCCCCN=C(N)N)OC(=O)C(C)C1O)CC(O)C2O
InChIInChI=1S/C61H107N3O20/c1-33(16-12-10-11-15-23-64-60(62)63)24-37(5)57-36(4)17-13-14-18-46(67)38(6)49(70)27-43(66)25-42(65)26-44(82-55(77)31-54(75)76)28-45-29-52(73)58(79)61(81,84-45)32-53(74)34(2)19-21-47(68)39(7)50(71)30-51(72)40(8)48(69)22-20-35(3)56(78)41(9)59(80)83-57/h13-14,16-18,20,34,36-53,56-58,65-74,78-79,81H,10-12,15,19,21-32H2,1-9H3,(H,75,76)(H4,62,63,64)/b17-13-,18-14-,33-16+,35-20-
InChIKeyPQURQOOZPVJPIM-MBCUCFDCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.7164/antibiotics.50.194)
ChEBI Ontology
Outgoing Relation(s)
Malolactomycin D (CHEBI:210292) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(12E,14E,22E)-17-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-5,7,9,11,21,25,27,29,31,35,37,38,39-tridecahydroxy-10,16,20,22,26,30,34-heptamethyl-19-oxo-18,41-dioxabicyclo[35.3.1]hentetraconta-12,14,22-trien-3-yl]oxy]-3-oxopropanoic acid