Met003654: Phytosphingosine
Metabolite Information
Name
Phytosphingosine
IUPAC Name
(2S,3S,4R)-2-aminooctadecane-1,3,4-triol
Molecular Formula
C18H39NO3
Molecular Weight
317.5
Exact Mass
317.2929941
SMILES
CCCCCCCCCCCCCCC(C(C(CO)N)O)O
InChIKey
AERBNCYCJBRYDG-KSZLIROESA-N
InChI
InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3/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
adzuki_bean
blueberry
broad_bean
chestnut
chickpea
garlic
grape
lemon
mung_bean
okra
parsley
pea
peach
pineapple
taro
tomato
yam
cassava
maize
soybean
wheat
adzuki_bean
blueberry
broad_bean
chestnut
chickpea
garlic
grape
lemon
mung_bean
okra
parsley
pea
peach
pineapple
taro
tomato
yam
Metabolite Spectrum Accession Label
AS01852p
AS01853p
ADZ00148p
BLU00591p
BROB00510p
CHE00525p
CHI00706p
GAR00470p
GRA00570p
LEM00342p
MUN00442p
OKR00095p
PAR01153p
PEACH00434p
PEA00013p
PEA00156p
PEA00461p
PIN00492p
TAR00221p
TAR00302p
TOM00712p
YAM00267p
CA00796p
CA00798p
WT00644p
WT00645p
WT00646p
SY00815p
SY00817p
MZ00777p
MZ00779p
AS01853p
ADZ00148p
BLU00591p
BROB00510p
CHE00525p
CHI00706p
GAR00470p
GRA00570p
LEM00342p
MUN00442p
OKR00095p
PAR01153p
PEACH00434p
PEA00013p
PEA00156p
PEA00461p
PIN00492p
TAR00221p
TAR00302p
TOM00712p
YAM00267p
CA00796p
CA00798p
WT00644p
WT00645p
WT00646p
SY00815p
SY00817p
MZ00777p
MZ00779p