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sphing-4-enine

PropertiesImage
MNX_IDMNXM1364420 Image of MNXM1364420
referencechebi:26743
formulaC18H37NO2
global charge0
mol weight299.499
InChIKeyWWUZIQQURGPMPG-ZWKOTPCHSA-N
InChIInChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m0/s1
SMILESCCCCCCCCCCCCCC=C[C@@H](O)[C@@H](N)CO
MNX internals
InChI (mnx)InChI=1/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/b15-14?/t17-,18+/m0/s1 Image of MNXM1364420
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@H:18]([C@H:17]([CH2:16][OH:20])[NH2:19])[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)26
in models (compartimentalized) 20
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:26743
chebi:26743
WWUZIQQURGPMPG-ZWKOTPCHSA-N 		sphing-4-enine
(2S,3R)-2-aminooctadec-4-ene-1,3-diol
4-sphingenine

CHEBI:46964
chebi:46964
WWUZIQQURGPMPG-UHFFFAOYSA-N 		2-aminooctadec-4-ene-1,3-diol
2-aminooctadec-4-ene-1,3-diols
hmdb:HMDB0245021
WWUZIQQURGPMPG-UHFFFAOYSA-N 		L-Threo-Sphingosine C-18
2-Aminooctadec-4-ene-1,3-diols
2-aminooctadec-4-ene-1,3-diol

bigg.metabolite:sphings
biggM:sphings
WWUZIQQURGPMPG-UHFFFAOYSA-O 		Sphingosine cytosol

sabiork.compound:5042
sabiorkM:5042
WWUZIQQURGPMPG-ZWKOTPCHSA-N 		Sphingosine
D-Erythro-sphingosine
Sphing-4-enine
Sphingenine
Sphingoid

biggM:M_sphings 		secondary/obsolete/fantasy identifier