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CHEBI:212662 - Suomilide

ChEBI IDCHEBI:212662
ChEBI NameSuomilide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H73N7O19S
Net Charge0
Average Mass1048.176
Monoisotopic Mass1047.46819
SMILESCCCCCC(=O)OCC1OC(OC2CC3C(O)C4(C2)OC(=O)NC4C(C(=O)NCCC2=CCN(C(=N)N)C2)N3C(=O)[C@H](NC(=O)C(COS(=O)(=O)O)OC)[C@@H](C)CC)C(OC(=O)CCCCC)C(O)C1O
InChIInChI=1S/C45H73N7O19S/c1-6-9-11-13-30(53)66-22-28-34(55)35(56)36(70-31(54)14-12-10-7-2)42(69-28)68-26-19-27-38(57)45(20-26)37(50-44(61)71-45)33(40(59)48-17-15-25-16-18-51(21-25)43(46)47)52(27)41(60)32(24(4)8-3)49-39(58)29(65-5)23-67-72(62,63)64/h16,24,26-29,32-38,42,55-57H,6-15,17-23H2,1-5H3,(H3,46,47)(H,48,59)(H,49,58)(H,50,61)(H,62,63,64)/t24-,26?,27?,28?,29?,32+,33?,34?,35?,36?,37?,38?,42?,45?/m0/s1
InChIKeyKAKUZTRQMKJXIH-BRKNMKEHSA-N
Species of MetaboliteComponentSourceComments
Nodularia (ncbitaxon:159191) - DOI (10.1016/s0040-4039(97)01193-3)
ChEBI Ontology
Outgoing Relation(s)
Suomilide (CHEBI:212662) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[6-[[6-[2-(1-carbamimidoyl-2,5-dihydropyrrol-3-yl)ethylcarbamoyl]-12-hydroxy-7-[(2R,3S)-2-[(2-methoxy-3-sulooxypropanoyl)amino]-3-methylpentanoyl]-3-oxo-2-oxa-4,7-diazatricyclo[6.3.1.01,5]dodecan-10-yl]oxy]-5-hexanoyloxy-3,4-dihydroxyoxan-2-yl]methyl hexanoate