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CHEBI:215046 - S361A

ChEBI IDCHEBI:215046
ChEBI NameS361A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H88O15
Net Charge0
Average Mass893.206
Monoisotopic Mass892.61232
SMILESCCC(C)CCCCCCCCCCCCC(=O)OC[C@H](O)CO[C@H]1O[C@H](COC(=O)CCCCCCCCCCC(C)CC)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O
InChIInChI=1S/C47H88O15/c1-5-33(3)25-21-17-13-9-7-8-10-15-19-23-27-38(50)57-30-35(49)31-59-46-44(56)45(62-47-43(55)42(54)40(52)36(29-48)60-47)41(53)37(61-46)32-58-39(51)28-24-20-16-12-11-14-18-22-26-34(4)6-2/h33-37,40-49,52-56H,5-32H2,1-4H3/t33?,34?,35-,36+,37+,40+,41+,42-,43+,44-,45-,46-,47+/m0/s1
InChIKeyPAXYGFYZRDUVNE-SAIMABHOSA-N
Species of MetaboliteComponentSourceComments
Leifsonia aquatica (ncbitaxon:144185) - PubMed (10737205)
ChEBI Ontology
Outgoing Relation(s)
S361A (CHEBI:215046) is a glycoglycerolipid (CHEBI:24385)
IUPAC Name 
[(2R)-3-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(12-methyltetradecanoyloxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxypropyl] 14-methylhexadecanoate
Manual XrefsDatabases
78438605ChemSpider