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CHEBI:202025 - Malonylniphimycin

ChEBI IDCHEBI:202025
ChEBI NameMalonylniphimycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC61H103N3O21
Net Charge0
Average Mass1214.495
Monoisotopic Mass1213.70841
SMILESCN=C(N)NCCC/C=C/CCCC(C)CC(C)C1OC(=O)C(C)C(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)CC(O)/C=C\C=C/C1C)CC(OC(=O)CC(=O)O)C2O
InChIInChI=1S/C61H103N3O21/c1-35(17-13-11-9-10-12-16-24-64-60(62)63-8)25-39(5)57-38(4)18-14-15-19-42(65)26-43(66)27-44(67)28-45(82-55(77)32-53(73)74)29-46-30-52(83-56(78)33-54(75)76)58(79)61(81,85-46)34-51(72)37(3)21-22-47(68)40(6)50(71)31-49(70)36(2)20-23-48(69)41(7)59(80)84-57/h9-10,14-15,18-20,23,35-52,57-58,65-72,79,81H,11-13,16-17,21-22,24-34H2,1-8H3,(H,73,74)(H,75,76)(H3,62,63,64)/b10-9+,18-14-,19-15-,23-20-
InChIKeyYUIKWBAVBDCXTC-SSMOIPJNSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9592572)
ChEBI Ontology
Outgoing Relation(s)
Malonylniphimycin (CHEBI:202025) has functional parent hexacarboxylic acid (CHEBI:59359)
Malonylniphimycin (CHEBI:202025) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
3-[[(10Z,12Z,20Z)-35-(2-carboxyacetyl)oxy-5,7,9,19,23,25,27,31,33,34-decahydroxy-14,18,22,26,30-pentamethyl-15-[(E)-4-methyl-12-[(N'-methylcarbamimidoyl)amino]dodec-8-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid
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