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N-(11Z)-icosenoylsphinganine

PropertiesImage
MNX_IDMNXM147169 Image of MNXM147169
referencechebi:85285
formulaC38H75NO3
global charge0
mol weight594.022
InChIKeyPULBITQLTXYVQX-FMECKOKGSA-N
InChIInChI=1S/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37+/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C38H75NO3/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-38(42)39-36(35-40)37(41)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18,36-37,40-41H,3-16,19-35H2,1-2H3,(H,39,42)/b18-17-/t36-,37+/m0/s1 Image of MNXM147169
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][C:38]([NH:39][C@@H:36]([CH2:35][OH:40])[C@@H:37]([CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:41])=[O:42]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:85285
chebi:85285
PULBITQLTXYVQX-FMECKOKGSA-N 		N-(11Z)-icosenoylsphinganine
(11Z)-N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]icos-11-enamide
C20:1n-9 DHCer
Cer(d18:0/20:1n-9)
N-(11Z)-eicosenoyldihydrosphingosine
N-(11Z)-eicosenoylsphinganine
N-(11Z)-icosenoyldihydrosphingosine
N-(11Z-eicosenoyl)-sphinganine
N-gondoyldihydrosphingosine
N-gondoylsphinganine

vmhM:dhcrm_gndc
vmhM:dhcrm_gndc
vmhmetabolite:dhcrm_gndc
vmhmetabolite:dhcrm_gndc
PULBITQLTXYVQX-FMECKOKGSA-N 		Dihydroceramide (D18:1/20:1(11Z))
metatlas:MAM20069
PULBITQLTXYVQX-FMECKOKGSA-N 		N-(11Z-eicosenoyl)-sphinganine

SLM:000390177
slm:000390177
PULBITQLTXYVQX-FMECKOKGSA-N 		N-(11Z-eicosenoyl)-sphinganine
Cer(d18:0/20:1(11Z))
Ceramide (d18:0/20:1(11Z))

metatlas:MAM20069g
metatlas:MAM20069r
vmhM:dhcrm_201_11Z
vmhM:dhcrm_201_11Z
vmhM:dhcrm_gndl
vmhM:dhcrm_gndl
vmhM:M_dhcrm_gndc 		secondary/obsolete/fantasy identifier