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N-(docosanoyl)eicosasphinganine

PropertiesImage
MNX_IDMNXM106979 Image of MNXM106979
referencechebi:66984
formulaC42H85NO3
global charge0
mol weight652.146
InChIKeyKYCUWZIFZWDQFK-WVILEFPPSA-N
InChIInChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H85NO3/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1 Image of MNXM106979
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][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:42](=[N:43][C@@H:40]([CH2:39][OH:44])[C@@H:41]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[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:66984
chebi:66984
KYCUWZIFZWDQFK-WVILEFPPSA-N 		N-(docosanoyl)eicosasphinganine
Cer(d20:0/22:0)
DHC-A 20:0/22:0
N-(docosanoyl)icosasphinganine
N-[(2S,3R)-1,3-dihydroxyicosan-2-yl]docosanamide
N-docosanoyl-C20-sphinganine
N-docosanoyleicosasphinganine
N-docosanoylicosasphinganine

lipidmaps:LMSP02020026
lipidmapsM:LMSP02020026
KYCUWZIFZWDQFK-WVILEFPPSA-N 		Cer(d20:0/22:0)
Cer 42:0
Cer[NdS]
N-(docosanoyl)-eicosasphinganine
O2

SLM:000396491
slm:000396491
KYCUWZIFZWDQFK-WVILEFPPSA-N 		N-(docosanoyl)-eicosasphinganine
Cer(d20:0/22:0)
Ceramide (d20:0/22:0)