Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 22:14:29 UTC
Update Date2022-08-31 06:21:50 UTC
Metabolite IDMMDBc0004097
Metabolite Identification
Common NameAsperiamide C
DescriptionAsperiamide C belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Based on a literature review very few articles have been published on Asperiamide C.
Structure
SynonymsNot Available
Molecular FormulaC45H83NO9
Average Mass782.157
Monoisotopic Mass781.606783257
IUPAC Name(2R,3E)-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]oxy}docosa-4,8-dien-2-yl]hexadec-3-enimidic acid
Traditional Name(2R,3E)-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]oxy}docosa-4,8-dien-2-yl]hexadec-3-enimidic acid
CAS Registry NumberNot Available
SMILES
[H]\C(CCCCCCCCCCCC)=C(\[H])[C@@]([H])(O)C(O)=NC([H])(CO[C@]1([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(O)C(\[H])=C(/[H])CC\C([H])=C(/C)CCCCCCCCCCCCC
InChI Identifier
InChI=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
InChI KeyFLCIOTVHCJKHJR-LWZWQNNYSA-N