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CHEBI:214726 - 1050-Da MAA

ChEBI IDCHEBI:214726
ChEBI Name1050-Da MAA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H70N4O24
Net Charge0
Average Mass1051.059
Monoisotopic Mass1050.43800
SMILESCOC1=C(NC(CCCN=C2CC(O)(COC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C=C(NCCCC(NC3=C(OC)C(=O)CC(O)(CO)C3)C(=O)O)C2OC)C(=O)O)CC(O)(CO)CC1=O
InChIInChI=1S/C45H70N4O24/c1-67-35-23(46-8-4-6-21(39(60)61)48-25-12-43(64,18-51)14-27(53)36(25)68-2)10-45(66,20-71-42-38(33(58)32(57)30(16-50)72-42)73-41-34(59)31(56)29(55)17-70-41)11-24(35)47-9-5-7-22(40(62)63)49-26-13-44(65,19-52)15-28(54)37(26)69-3/h10,21-22,29-35,38,41-42,46,48-52,55-59,64-66H,4-9,11-20H2,1-3H3,(H,60,61)(H,62,63)
InChIKeyLXAQAGJUMPYUSR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nostoc commune (ncbitaxon:1178) - PubMed (21813286)
ChEBI Ontology
Outgoing Relation(s)
1050-Da MAA (CHEBI:214726) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
5-[[5-[4-carboxy-4-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]butyl]imino-3-[[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-3-hydroxy-6-methoxycyclohexen-1-yl]amino]-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-oxocyclohexen-1-yl]amino]pentanoic acid