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3-dehydrosphingosine

PropertiesImage
MNX_IDMNXM6791 Image of MNXM6791
referencechebi:20096
formulaC18H35NO2
global charge0
mol weight297.483
InChIKeyVWTPJNGTEYZXFV-ZWKQNVPVSA-N
InChIInChI=1S/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/C(=O)[C@@H](N)CO
MNX internals
InChI (mnx)InChI=1/C18H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17,20H,2-13,16,19H2,1H3/b15-14+/t17-/m0/s1 Image of MNXM6791
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]/[CH:14]=[CH:15]/[C:18]([C@H:17]([CH2:16][OH:20])[NH2:19])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:20096
chebi:20096
VWTPJNGTEYZXFV-ZWKQNVPVSA-N 		3-dehydrosphingosine
(2S,4E)-2-amino-1-hydroxyoctadec-4-en-3-one
3-ketosphingosine

seed.compound:cpd03649
seedM:cpd03649
kegg.compound:C06121
keggC:C06121
VWTPJNGTEYZXFV-ZWKQNVPVSA-N
VWTPJNGTEYZXFV-ZWKQNVPVSA-O 		3-Ketosphingosine

lipidmaps:LMSP01010002
lipidmapsM:LMSP01010002
VWTPJNGTEYZXFV-ZWKQNVPVSA-N 		3-ketosphingosine
(2S,4E)-3-ketosphingosine
3-keto-sphing-4-enine
O2
SPB 18:2

keggC:M_C06121
seedM:M_cpd03649 		secondary/obsolete/fantasy identifier