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CHEBI:209432 - Acremomannolipin A

ChEBI IDCHEBI:209432
ChEBI NameAcremomannolipin A
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SubmitterMetaboLights
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FormulaC38H68O15
Net Charge0
Average Mass764.947
Monoisotopic Mass764.45582
SMILESCCCCCCCC(=O)O[C@@H]1[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)O[C@H](COC(=O)CCCCC)[C@@H](OC(=O)CCCCC)[C@@H]1OC(=O)CCCCC
InChIInChI=1S/C38H68O15/c1-5-9-13-14-18-22-32(45)53-37-36(52-31(44)21-17-12-8-4)35(51-30(43)20-16-11-7-3)28(25-48-29(42)19-15-10-6-2)50-38(37)49-24-27(41)34(47)33(46)26(40)23-39/h26-28,33-41,46-47H,5-25H2,1-4H3/t26-,27-,28-,33-,34-,35-,36+,37+,38-/m1/s1
InChIKeyKXOHHVVQXCNKBM-QDOWTLGRSA-N
ChEBI Ontology
Outgoing Relation(s)
Acremomannolipin A (CHEBI:209432) is a lipopolysaccharide (CHEBI:16412)
IUPAC Name 
[(2R,3S,4S,5R,6R)-4,5-di(hexanoyloxy)-6-(hexanoyloxymethyl)-2-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]oxan-3-yl] octanoate
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