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CHEBI:199835 - Deformin

ChEBI IDCHEBI:199835
ChEBI NameDeformin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H77NO9
Net Charge0
Average Mass728.065
Monoisotopic Mass727.55983
SMILESCCCCCCCCC/C=C\CC/C=C/CC(O)C(COC1OC(CO)C(O)C(O)C1O)NC(=O)C(O)CCCCCCCCCCCCCC
InChIInChI=1S/C41H77NO9/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-34(44)33(32-50-41-39(48)38(47)37(46)36(31-43)51-41)42-40(49)35(45)30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,25,27,33-39,41,43-48H,3-17,19,21-24,26,28-32H2,1-2H3,(H,42,49)/b20-18-,27-25+
InChIKeyXXMBGIMQDWOUJW-YVULUBTBSA-N
Species of MetaboliteComponentSourceComments
Yarrowia deformans (ncbitaxon:1608523) - DOI (10.1016/0922-338x(94)90366-2)
ChEBI Ontology
Outgoing Relation(s)
Deformin (CHEBI:199835) is a glycosphingolipid (CHEBI:24402)
IUPAC Name 
2-hydroxy-N-[(5E,9Z)-3-hydroxy-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynonadeca-5,9-dien-2-yl]hexadecanamide
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