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CHEBI:217834 - GL2a

ChEBI IDCHEBI:217834
ChEBI NameGL2a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC52H94O15
Net Charge0
Average Mass959.309
Monoisotopic Mass958.65927
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC1CC1CCCCCCCC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C52H94O15/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-23-28-32-44(56)64-40(36-62-43(55)31-27-24-20-22-26-30-39-33-38(39)29-25-21-10-8-6-4-2)37-63-52-50(48(60)46(58)42(35-54)66-52)67-51-49(61)47(59)45(57)41(34-53)65-51/h14-15,38-42,45-54,57-61H,3-13,16-37H2,1-2H3/b15-14-/t38?,39?,40-,41-,42-,45+,46-,47+,48+,49-,50-,51-,52+/m1/s1
InChIKeyNFMMZNHSINJCBG-DCCWOIOJSA-N
Species of MetaboliteComponentSourceComments
Lactiplantibacillus plantarum (ncbitaxon:1590) - PubMed (22683117)
ChEBI Ontology
Outgoing Relation(s)
GL2a (CHEBI:217834) is a sophorolipid (CHEBI:51075)
IUPAC Name 
[(2S)-1-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-[8-(2-octylcyclopropyl)octanoyloxy]propan-2-yl] (Z)-octadec-9-enoate
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78443520ChemSpider