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CHEBI:200975 - Asperiamide A

ChEBI IDCHEBI:200975
ChEBI NameAsperiamide A
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SubmitterMetaboLights
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FormulaC54H101NO9
Net Charge0
Average Mass908.400
Monoisotopic Mass907.74763
SMILESCCCCCCCCCCCC/C=C(\C)CCCCCCCCCCC/C=C/C(O)C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)C(O)/C=C/CCCCCCCCCCCCC
InChIInChI=1S/C54H101NO9/c1-4-6-8-10-12-14-16-17-21-26-30-34-38-42-48(58)53(62)55-46(44-63-54-52(61)51(60)50(59)49(43-56)64-54)47(57)41-37-33-29-25-22-18-20-24-28-32-36-40-45(3)39-35-31-27-23-19-15-13-11-9-7-5-2/h37-39,41-42,46-52,54,56-61H,4-36,40,43-44H2,1-3H3,(H,55,62)/b41-37+,42-38+,45-39+/t46?,47?,48?,49-,50-,51+,52-,54-/m1/s1
InChIKeyCRUUFOOREXOUNG-ZXKGMNATSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (16176910)
ChEBI Ontology
Outgoing Relation(s)
Asperiamide A (CHEBI:200975) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(E)-2-hydroxy-N-[(4E,17E)-3-hydroxy-17-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriaconta-4,17-dien-2-yl]heptadec-3-enamide
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