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N-hexacosanoylsphinganine

PropertiesImage
MNX_IDMNXM63798 Image of MNXM63798
referencechebi:52962
formulaC44H89NO3
global charge0
mol weight680.2
InChIKeyNWERZHCPHDHUMO-WZYYJWNZSA-N
InChIInChI=1S/C44H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H89NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-44(48)45-42(41-46)43(47)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h42-43,46-47H,3-41H2,1-2H3,(H,45,48)/t42-,43+/m0/s1 Image of MNXM63798
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][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][NH:45][O:46][O:47][O:48][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH3:32])=[CH2:44])[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)12
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52962
chebi:52962
NWERZHCPHDHUMO-WZYYJWNZSA-N
N-hexacosanoylsphinganine
C26DH Cer
Cer(d18:0/26:0)
N-(hexacosanoyl)-sphinganine
N-[(2S,3R)-1,3-bis(oxidanyl)octadecan-2-yl]hexacosanamide
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacosanamide
ceramide-1 (sphinganine:N-C26:0)
hmdb:HMDB0011771
NWERZHCPHDHUMO-WZYYJWNZSA-N
Cer(d18:0/26:0)
C26DH Cer
C26DH cer
Ceramide
Ceramide(D18:0/26:0)
Ceramide-1 (sphinganine:n-C26:0)
N-(Hexacosanoyl)-D-erythro-sphinganine
N-(Hexacosanoyl)-dihydrosphingosine
N-(Hexacosanoyl)-sphinganine
N-[(2S,3R)-1,3-Bis(oxidanyl)octadecan-2-yl]hexacosanamide
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexacosanamide

lipidmaps:LMSP02020014
lipidmapsM:LMSP02020014
NWERZHCPHDHUMO-WZYYJWNZSA-N
Cer(d18:0/26:0)
C26DH Cer
Cer 44:0
Cer[NdS]
N-(hexacosanoyl)-dihydroceramide
N-(hexacosanoyl)-sphinganine
O2

seed.compound:cpd33133
seedM:cpd33133
NWERZHCPHDHUMO-WZYYJWNZSA-N
Cer(d18:0/26:0)
N-(hexacosanoyl)-sphinganine
N-hexacosanoylsphinganine
ceramide A (C26)
ceramide-1 (C26)
ceramide-1 (sphinganine:N-C26:0)

seed.compound:cpd15221
seedM:cpd15221
Ceramide-1 Sphinganine:n-C26:0)
Ceramide-1 (Sphinganine:n-C26:0)
cer1_26

metacyc.compound:CPD-16353
metacycM:CPD-16353
NWERZHCPHDHUMO-WZYYJWNZSA-N
N-(hexacosanoyl)-sphinganine
C26 dihydrosphingosine
Cer(d18:0/26:0)
N-hexacosanoylsphinganine
ceramide A (C26)
ceramide-1 (C26)
ceramide-1 (sphinganine:N-C26:0)

SLM:000000492
slm:000000492
NWERZHCPHDHUMO-WZYYJWNZSA-N
N-(hexacosanoyl)-sphinganine
Cer(d18:0/26:0)
Ceramide (d18:0/26:0)

hmdb:HMDB11771
seedM:M_cpd15221
seedM:M_cpd33133
secondary/obsolete/fantasy identifier