Met000737: Halisphingosine A
Metabolite Information
Name
Halisphingosine A
IUPAC Name
(Z,2R,3R,6R)-2-aminooctadec-7-ene-1,3,6-triol
Molecular Formula
C18H37NO3
Molecular Weight
315.5
Exact Mass
315.277344
SMILES
CCCCCCCCCCC=CC(CCC(C(CO)N)O)O
InChIKey
QSBHSPFCUOHNKQ-AMZBRUSGSA-N
InChI
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h11-12,16-18,20-22H,2-10,13-15,19H2,1H3/b12-11-/t16-,17+,18+/m0/s1
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic nitrogen compounds
Class:
Organonitrogen compounds
Subclass:
Amines
Crops containing this metabolite
astragalus
cassava
maize
soybean
wheat
morus
leonurus
banana
chickpea
garlic
grape
mango
muskmelon
pea
peach
pear
turnip
cassava
maize
soybean
wheat
morus
leonurus
banana
chickpea
garlic
grape
mango
muskmelon
pea
peach
pear
turnip
Metabolite Spectrum Accession Label
AS01819p
AS00880n
MALB01261p
MALB01258p
MALB01259p
BAN00247p
BAN00704p
CHI00024p
CHI00043p
CHI00435p
CHI00527p
GAR00205p
GAR00239p
GAR00350p
GRA00102p
GRA00133p
GRA00218p
GRA00332p
MAN00286p
MAN00312p
MUS00318p
PEACH00013p
PEA00032p
PEA00119p
PEA00122p
PEAR00116p
TUR00359p
LEJAP01348p
CA00778p
WT00633p
WT00634p
SY00806p
MZ00768p
AS00880n
MALB01261p
MALB01258p
MALB01259p
BAN00247p
BAN00704p
CHI00024p
CHI00043p
CHI00435p
CHI00527p
GAR00205p
GAR00239p
GAR00350p
GRA00102p
GRA00133p
GRA00218p
GRA00332p
MAN00286p
MAN00312p
MUS00318p
PEACH00013p
PEA00032p
PEA00119p
PEA00122p
PEAR00116p
TUR00359p
LEJAP01348p
CA00778p
WT00633p
WT00634p
SY00806p
MZ00768p