CHEBI:215046 - S361A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name S361A
ChEBI ID CHEBI:215046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H88O15
Net Charge 0
Average Mass 893.206
Monoisotopic Mass 892.61232
InChI InChI=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
InChIKey PAXYGFYZRDUVNE-SAIMABHOSA-N
SMILES O=C(OC[C@H]1O[C@H](OC[C@@H](O)COC(=O)CCCCCCCCCCCCC(CC)C)[C@@H](O)[C@H]([C@@H]1O)O[C@H]2O[C@@H]([C@@H](O)[C@@H]([C@H]2O)O)CO)CCCCCCCCCCC(CC)C
Metabolite of Species Details
Leifsonia aquatica (NCBI:txid144185) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
78438605 ChemSpider
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