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(4R)-hydroxysphing-(8E)-enine

PropertiesImage
MNX_IDMNXM735064 Image of MNXM735064
referencechebi:83175
formulaC18H38NO3
global charge1
mol weight316.506
InChIKeyCQKNELOTFUSOTP-HMTIOLNVSA-O
InChIInChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/p+1/b11-10+/t16-,17+,18-/m0/s1
SMILESCCCCCCCCC/C=C/CCC[C@@H](O)[C@@H](O)[C@@H]([NH3+])CO
MNX internals
InChI (mnx)InChI=1/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1 Image of MNXM735064
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9]/[CH:10]=[CH:11]/[CH2:12][CH2:13][CH2:14][C@H:17]([C@H:18]([C@H:16]([CH2:15][OH:20])[NH2:19])[OH:22])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83175
chebi:83175
CQKNELOTFUSOTP-HMTIOLNVSA-O 		(4R)-hydroxysphing-(8E)-enine
(2S,3S,4R,8E)-1,3,4-trihydroxyoctadec-8-en-2-aminium
4-hydroxysphing-8-enine(1+)
phytosphing-8-enine(1+)

metacyc.compound:CPD-10693
metacycM:CPD-10693
CQKNELOTFUSOTP-HMTIOLNVSA-O 		(8E)-4-hydroxy-sphing-8-enine
4-hydroxy-8-sphingenine
4-hydroxy-trans-8-sphingenine
Delta8-phytosphingenine
dehydrophytosphingosine

CHEBI:20386
chebi:20386
CQKNELOTFUSOTP-HMTIOLNVSA-N 		4-hydroxy-8-sphingenine
(2S,3S,4R,8E)-2-aminooctadec-8-ene-1,3,4-triol
4R-hydroxysphing-8E-enine
8,9-didehydrophytosphingosine
Dehydrophytosphingosine

seed.compound:cpd22780
seedM:cpd22780
CQKNELOTFUSOTP-HMTIOLNVSA-O 		4-hydroxy-trans-8-sphingenine
delta8-phytosphingenine

lipidmaps:LMSP01030002
lipidmapsM:LMSP01030002
CQKNELOTFUSOTP-HMTIOLNVSA-N 		Dehydrophytosphingosine
4-hydroxy-8-sphingenine
4R-hydroxysphing-8E-enine
O3
SPB 18:1

seedM:M_cpd22780 		secondary/obsolete/fantasy identifier