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N-pentacosanoylsphingosine

PropertiesImage
MNX_IDMNXM46118 Image of MNXM46118
referencechebi:134548
formulaC43H85NO3
global charge0
mol weight664.157
InChIKeyQHPYSHVSWAOLHS-PVNBSDFKSA-N
InChIInChI=1S/C43H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+/t41-,42+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h36,38,41-42,45-46H,3-35,37,39-40H2,1-2H3,(H,44,47)/b38-36+/t41-,42+/m0/s1 Image of MNXM46118
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:43](=[N:44][C@@H:41]([CH2:40][OH:45])[C@@H:42](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:46])[OH:47]
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:134548
chebi:134548
QHPYSHVSWAOLHS-PVNBSDFKSA-N 		N-pentacosanoylsphingosine
C25 ceramide
Cer(d18:1/25:0)
N-(pentacosanoyl)-ceramide
N-(pentacosanoyl)-sphing-4-enine
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]pentacosanamide
N-pentacosanoylsphing-4-enine
ceramide (d18:1/25:0)
hmdb:HMDB0004957
QHPYSHVSWAOLHS-PVNBSDFKSA-N 		Cer(d18:1/25:0)
(2S,3R,4E)-2-Acylaminooctadec-4-ene-1,3-diol
(2S,3R,4E)-2-acylamino-1,3-Octadec-4-enediol
C25 Ceramide
Cer
Cer d18:1/25:0
Ceramide
Ceramide (d18:1,C25:0)
Ceramide (d18:1/25:0)
Ceramide(d18:1/25:0)
N-(Pentacosanoyl)-ceramide
N-(Pentacosanoyl)-sphing-4-enine
N-(pentacosanoyl)-ceramide
N-Acylsphingosine
N-Pentacosanoylsphing-4-enine
N-[(1S,2R,3E)-2-Hydroxy-1-(hydroxymethyl)-3-heptadecenyl]-octadecanamide
N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]pentacosanamide

lipidmaps:LMSP02010013
lipidmapsM:LMSP02010013
QHPYSHVSWAOLHS-PVNBSDFKSA-N 		Cer(d18:1/25:0)
Cer 43:1
Cer[NS]
N-(pentacosanoyl)-ceramide
N-(pentacosanoyl)-sphing-4-enine
O2

hmdb:HMDB04957 		secondary/obsolete/fantasy identifier