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CHEBI:198090 - N'-Methylniphimycin

ChEBI IDCHEBI:198090
ChEBI NameN'-Methylniphimycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC60H105N3O18
Net Charge0
Average Mass1156.503
Monoisotopic Mass1155.73931
SMILESCN=C(NC)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)C(C)C(O)/C=C\C=C/C1C)CC(O)C2O
InChIInChI=1S/C60H105N3O18/c1-35(19-15-13-11-12-14-18-26-63-59(61-9)62-10)27-39(5)56-38(4)20-16-17-21-46(65)40(6)50(69)29-43(64)28-44(79-55(75)33-54(73)74)30-45-31-52(71)57(76)60(78,81-45)34-53(72)37(3)23-24-47(66)41(7)51(70)32-49(68)36(2)22-25-48(67)42(8)58(77)80-56/h11-12,16-17,20-22,25,35-53,56-57,64-72,76,78H,13-15,18-19,23-24,26-34H2,1-10H3,(H,73,74)(H2,61,62,63)/b12-11+,20-16-,21-17-,25-22-
InChIKeyVPKNCDAKMALJNH-XZTXNOEUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/(sici)1521-4028(199811)38:5/6<415::aid-jobm415>3.0.co;2-z)
ChEBI Ontology
Outgoing Relation(s)
N'-Methylniphimycin (CHEBI:198090) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10Z,12Z,20Z)-15-[(E)-12-[(N,N'-dimethylcarbamimidoyl)amino]-4-methyldodec-8-en-2-yl]-5,7,9,19,23,25,27,31,33,34,35-undecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-3-yl]oxy]-3-oxopropanoic acid
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78444510ChemSpider