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CHEBI:207237 - Beta-Glcp-(1-->6)-beta-Glcp-(1-->6)-beta-GlcpNAcyl-(1-->2)-alpha-Glcp-(1-->1)-glycerol diester

ChEBI IDCHEBI:207237
ChEBI NameBeta-Glcp-(1-->6)-beta-Glcp-(1-->6)-beta-GlcpNAcyl-(1-->2)-alpha-Glcp-(1-->1)-glycerol diester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC72H133NO25
Net Charge0
Average Mass1412.838
Monoisotopic Mass1411.91667
SMILESCCCCCCCCCCCCCCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](OCC(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C72H133NO25/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-54(76)73-57-62(83)60(81)52(47-92-71-67(88)64(85)61(82)53(97-71)48-91-70-66(87)63(84)58(79)50(43-74)94-70)96-69(57)98-68-65(86)59(80)51(44-75)95-72(68)90-46-49(93-56(78)42-39-36-33-30-27-24-21-18-15-12-9-6-3)45-89-55(77)41-38-35-32-29-26-23-20-17-14-11-8-5-2/h49-53,57-72,74-75,79-88H,4-48H2,1-3H3,(H,73,76)/t49?,50-,51-,52-,53-,57-,58-,59-,60-,61-,62-,63+,64+,65+,66-,67-,68-,69+,70-,71-,72-/m1/s1
InChIKeyXNGQGXKXJGVOCC-RAEDGPRDSA-N
Species of MetaboliteComponentSourceComments
Thermus (ncbitaxon:270) - PubMed (15476720)
ChEBI Ontology
Outgoing Relation(s)
Beta-Glcp-(1-->6)-beta-Glcp-(1-->6)-beta-GlcpNAcyl-(1-->2)-alpha-Glcp-(1-->1)-glycerol diester (CHEBI:207237) is a amino sugar (CHEBI:28963)
IUPAC Name 
[3-[(2R,3R,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-(pentadecanoylamino)-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-pentadecanoyloxypropyl] pentadecanoate
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