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CHEBI:200077 - Asperamide A

ChEBI IDCHEBI:200077
ChEBI NameAsperamide A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H69NO4
Net Charge0
Average Mass591.962
Monoisotopic Mass591.52266
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)C(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCCCC
InChIInChI=1S/C37H69NO4/c1-4-6-8-10-12-14-15-16-18-20-22-26-31-36(41)37(42)38-34(32-39)35(40)30-27-23-25-29-33(3)28-24-21-19-17-13-11-9-7-5-2/h26-27,29-31,34-36,39-41H,4-25,28,32H2,1-3H3,(H,38,42)/b30-27+,31-26+,33-29+/t34-,35+,36+/m0/s1
InChIKeyVRIIXNNVXVVXAW-SQQMQPSLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (17605063)
ChEBI Ontology
Outgoing Relation(s)
Asperamide A (CHEBI:200077) is a ceramide (CHEBI:17761)
IUPAC Name 
(E,2R)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methylicosa-4,8-dien-2-yl]-2-hydroxyhexadec-3-enamide
Manual XrefsDatabases
27023098ChemSpider