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CHEBI:200437 - Asperiamide C

ChEBI IDCHEBI:200437
ChEBI NameAsperiamide C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC45H83NO9
Net Charge0
Average Mass782.157
Monoisotopic Mass781.60678
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)C(=O)NC(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCCCCCC
InChIInChI=1S/C45H83NO9/c1-4-6-8-10-12-14-16-18-20-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-21-19-17-15-13-11-9-7-5-2/h28-29,31-33,37-43,45,47-52H,4-27,30,34-35H2,1-3H3,(H,46,53)/b32-29+,33-28+,36-31+/t37?,38-,39-,40-,41-,42+,43-,45-/m1/s1
InChIKeyFLCIOTVHCJKHJR-LWZWQNNYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1002/cjoc.200890142)
ChEBI Ontology
Outgoing Relation(s)
Asperiamide C (CHEBI:200437) is a glycosylceramide (CHEBI:62941)
IUPAC Name 
(E,2R)-2-hydroxy-N-[(3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydocosa-4,8-dien-2-yl]hexadec-3-enamide
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78440825ChemSpider