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N-tetracosanoylsphinganine

PropertiesImage
MNX_IDMNXM64020 Image of MNXM64020
referencechebi:52961
formulaC42H85NO3
global charge0
mol weight652.146
InChIKeyBPLYVSYSBPLDOA-WVILEFPPSA-N
InChIInChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1 Image of MNXM64020
SMILES (mnx)[CH2:1]([CH2:2][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][CH2:14][CH:15]([C@H:16]([CH2:17][CH3:21])[CH2:20][C:22]([CH2:23][NH:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][O:45][OH:46])=[O:44])[CH3:19])[CH2:12][CH2:13][CH2:3][CH3:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52961
chebi:52961
BPLYVSYSBPLDOA-WVILEFPPSA-N 		N-tetracosanoylsphinganine
C24DH Cer
Cer(d18:0/24:0)
N-(tetracosanoyl)-sphinganine
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide
ceramide-1 (sphinganine:N-C24:0)
hmdb:HMDB0011768
BPLYVSYSBPLDOA-WVILEFPPSA-N 		Cer(d18:0/24:0)
C24DH Cer
C24DH cer
Ceramide
Ceramide(D18:0/24:0)
Ceramide-1 (sphinganine:n-C24:0)
N-(Tetracosanoyl)-D-erythro-sphinganine
N-(Tetracosanoyl)-dihydrosphingosine
N-(Tetracosanoyl)-sphinganine
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide

lipidmaps:LMSP02020012
lipidmapsM:LMSP02020012
BPLYVSYSBPLDOA-WVILEFPPSA-N 		Cer(d18:0/24:0)
C24DH Cer
Cer 42:0
Cer[NdS]
N-(tetracosanoyl)-dihydroceramide
N-(tetracosanoyl)-sphinganine
O2

seed.compound:cpd32309
seedM:cpd32309
BPLYVSYSBPLDOA-WVILEFPPSA-N 		Cer(d18:0/24:0)
N-(tetracosanoyl)-sphinganine
N-tetracosanoylsphinganine
ceramide A (C24)
ceramide-1 (C24)
ceramide-1 (sphinganine:N-C24:0)

seed.compound:cpd15220
seedM:cpd15220 		Ceramide-1 Sphinganine:n-C24:0)
Ceramide-1 (Sphinganine:n-C24:0)
cer1_24

metacyc.compound:CPD-16352
metacycM:CPD-16352
BPLYVSYSBPLDOA-WVILEFPPSA-N 		N-(tetracosanoyl)-sphinganine
C24 dihydroceramide
C24 dihydrosphingosine
C24 sphinganine
Cer(d18:0/24:0)
ceramide A (C24)
ceramide-1 (sphinganine:N-C24:0)

SLM:000000491
slm:000000491
BPLYVSYSBPLDOA-WVILEFPPSA-N 		N-(tetracosanoyl)-sphinganine
Cer(d18:0/24:0)
Ceramide (d18:0/24:0)

hmdb:HMDB11768
seedM:M_cpd15220
seedM:M_cpd32309 		secondary/obsolete/fantasy identifier