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N-(docosanoyl)-4-hydroxyeicosasphinganine

PropertiesImage
MNX_IDMNXM106978 Image of MNXM106978
referencechebi:66985
formulaC42H85NO4
global charge0
mol weight668.145
InChIKeyPVYQVQNWNVQYMD-LFVSMIGWSA-N
InChIInChI=1S/C42H85NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H85NO4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-41(46)43-39(38-44)42(47)40(45)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h39-40,42,44-45,47H,3-38H2,1-2H3,(H,43,46)/t39-,40+,42-/m0/s1 Image of MNXM106978
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C:41](=[N:43][C@@H:39]([CH2:38][OH:44])[C@@H:42]([C@@H:40]([CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:47])[OH:46]
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:66985
chebi:66985
PVYQVQNWNVQYMD-LFVSMIGWSA-N 		N-(docosanoyl)-4-hydroxyeicosasphinganine
Cer(t20:0/22:0)
N-(docosanoyl)-4-hydroxyicosasphinganine
N-(docosanoyl)-4R-hydroxyeicosasphinganine
N-[(2S,3S,4R)-1,3,4-trihydroxyicosan-2-yl]docosanamide
N-docosanoyl-C20-phytosphingosine
PHC-B 20:0/22:0

lipidmaps:LMSP02030012
lipidmapsM:LMSP02030012
PVYQVQNWNVQYMD-LFVSMIGWSA-N 		Cer(t20:0/22:0)
Cer 42:0
Cer[NP]
N-(docosanoyl)-4-hydroxyeicosasphinganine
N-(docosanoyl)-4R-hydroxy-eicosasphinganine
O3

SLM:000396571
slm:000396571
PVYQVQNWNVQYMD-LFVSMIGWSA-N 		N-(docosanoyl)-4-hydroxyeicosasphinganine
Cer(t20:0/22:0)
Ceramide (t20:0/22:0)