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hexadecasphing-4-enine

PropertiesImage
MNX_IDMNXM45083 Image of MNXM45083
referencechebi:71011
formulaC16H34NO2
global charge1
mol weight272.453
InChIKeyBTUSGZZCQZACPT-YYZTVXDQSA-O
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/p+1/b13-12+/t15-,16+/m0/s1
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])CO
MNX internals
InChI (mnx)InChI=1/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)15(17)14-18/h12-13,15-16,18-19H,2-11,14,17H2,1H3/b13-12+/t15-,16+/m0/s1 Image of MNXM45083
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]/[CH:12]=[CH:13]/[C@H:16]([C@H:15]([CH2:14][OH:18])[NH2:17])[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71011
chebi:71011
BTUSGZZCQZACPT-YYZTVXDQSA-O 		hexadecasphing-4-enine
(2S,3R,4E)-1,3-dihydroxyhexadec-4-en-2-aminium
C16 sphingosine(1+)
C16-SO
hexadecasphing-4-enine(1+)
hexadecasphingosine(1+)

lipidmaps:LMSP01040008
lipidmapsM:LMSP01040008
BTUSGZZCQZACPT-YYZTVXDQSA-N 		C16 Sphingosine
Hexadecasphing-4E-enine
Hexadecasphingosine
O2
SPB 16:1
hmdb:HMDB0242181
BTUSGZZCQZACPT-YYZTVXDQSA-N 		Hexadecasphingosine
(2S,3R,4E)-2-aminohexadec-4-ene-1,3-diol
C16 Sphingosine
C16 sphingosine
Sphingosine D16:1

CHEBI:228482
chebi:228482
BTUSGZZCQZACPT-OUKQBFOZSA-N 		SPB 16:1;2O
(E)-2-aminohexadec-4-ene-1,3-diol

CHEBI:71052
chebi:71052
BTUSGZZCQZACPT-YYZTVXDQSA-N 		hexadecasphing-4-enine
(2S,3R,4E)-2-aminohexadec-4-ene-1,3-diol
C16 sphingosine
Sphingosine d16:1
hexadecasphingosine