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CHEBI:209133 - S. salinus M19-40T lipid A

ChEBI IDCHEBI:209133
ChEBI NameS. salinus M19-40T lipid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H134N2O24P2
Net Charge0
Average Mass1473.802
Monoisotopic Mass1472.88018
SMILESCCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@H](O)CCCCCCC
InChIInChI=1S/C72H134N2O24P2/c1-6-11-16-21-24-27-30-35-40-43-54(76)48-60(79)73-66-70(96-64(83)50-56(78)45-39-34-20-15-10-5)68(97-99(85,86)87)58(52-75)93-71(66)91-53-59-67(84)69(95-63(82)49-55(77)44-38-33-19-14-9-4)65(72(94-59)98-100(88,89)90)74-61(80)51-57(46-41-36-31-28-25-22-17-12-7-2)92-62(81)47-42-37-32-29-26-23-18-13-8-3/h55-59,65-72,75,77-78,84H,6-53H2,1-5H3,(H,73,79)(H,74,80)(H2,85,86,87)(H2,88,89,90)/t55-,56-,57-,58-,59-,65-,66-,67-,68-,69-,70-,71-,72-/m1/s1
InChIKeyCRTAASQPJWXHDU-SZPGBGPLSA-N
Species of MetaboliteComponentSourceComments
Spiribacter (ncbitaxon:1335745) - PubMed (29641496)
ChEBI Ontology
Outgoing Relation(s)
S. salinus M19-40T lipid A (CHEBI:209133) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(3R)-1-[[(2R,3R,4R,5S,6R)-5-hydroxy-4-[(3R)-3-hydroxydecanoyl]oxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-hydroxydecanoyl]oxy-6-(hydroxymethyl)-3-(3-oxotetradecanoylamino)-5-phosphonooxyoxan-2-yl]oxymethyl]-2-phosphonooxyoxan-3-yl]amino]-1-oxotetradecan-3-yl] dodecanoate
Manual XrefsDatabases
65323204ChemSpider