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N-(2-hydroxyhexacosanyl)-(4R)-hydroxysphinganine

PropertiesImage
MNX_IDMNXM63157 Image of MNXM63157
referencechebi:52374
formulaC44H89NO5
global charge0
mol weight712.198
InChIKeyXNLFLZXNXQVPII-YIWOKQJZSA-N
InChIInChI=1S/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42?,43-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H89NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(48)44(50)45-40(39-46)43(49)41(47)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-43,46-49H,3-39H2,1-2H3,(H,45,50)/t40-,41+,42?,43-/m0/s1 Image of MNXM63157
SMILES (mnx)[CH2:1]([CH2:2][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH2:5][CH2:4][C@@H:14]([CH:15]([C@H:16]([CH2:17][CH3:21])[CH2:20][C:22]([CH:23]([NH:45][CH2:44][CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][O:47][OH:49])[OH:50])=[O:46])[CH3:19])[OH:48])[CH2:12][CH2:13][CH2:3][CH3:18]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:52374
chebi:52374
XNLFLZXNXQVPII-YIWOKQJZSA-N 		N-(2-hydroxyhexacosanyl)-(4R)-hydroxysphinganine
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
Cer(t18:0/26:0(2-OH))
N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
N-(2-hydroxyhexacosanoyl)-phytoceramide
N-(2-hydroxyhexacosanyl)-(4R)-phytosphingosine
cer3_26
ceramide-3 (phytosphingosine:N-C26:2OH)

lipidmaps:LMSP02030003
lipidmapsM:LMSP02030003
XNLFLZXNXQVPII-YIWOKQJZSA-N 		Cer(t18:0/26:0(2OH))
Cer 44:0
Cer(t18:0/h26:0)
Cer[AP]
N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
N-(2-hydroxyhexacosanoyl)-phytoceramide
O4

seed.compound:cpd15227
seedM:cpd15227 		Ceramide-3 Phytosphingosine:n-C26:0OH)
Ceramide-3 (Phytosphingosine:n-C26:0OH)
cer3_26

SLM:000508893
slm:000508893
XNLFLZXNXQVPII-YIWOKQJZSA-N 		N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
Cer(t18:0/26:0(2OH))
Ceramide (t18:0/26:0(2OH))
N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
N-(2R-Hydroxyhexacosanoyl)-2S-amino-1,3S,4R-octadecanetriol
N-2-hydroxyhexacosanoyl-4-hydroxysphinganine

seedM:M_cpd15227 		secondary/obsolete/fantasy identifier