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N-(2-hydroxytetracosanoyl)-phytosphingosine

PropertiesImage
MNX_IDMNXM573718 Image of MNXM573718
referencemetacycM:CPD-8458
formulaC42H85NO5
global charge0
mol weight684.144
InChIKeyZFUXWVVVWGWGPQ-XRFUAQTBSA-N
InChIInChI=1S/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40-,41-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H85NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-40(46)42(48)43-38(37-44)41(47)39(45)35-33-31-29-27-25-16-14-12-10-8-6-4-2/h38-41,44-47H,3-37H2,1-2H3,(H,43,48)/t38-,39+,40-,41-/m0/s1 Image of MNXM573718
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C@@H:40]([C:42](=[N:43][C@@H:38]([CH2:37][OH:44])[C@@H:41]([C@@H:39]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:47])[OH:48])[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

metacyc.compound:CPD-8458
metacycM:CPD-8458
ZFUXWVVVWGWGPQ-XRFUAQTBSA-N 		N-(2-hydroxytetracosanoyl)-phytosphingosine
Cer 6
N-(2-hydroxytetracosanoyl)-4-hydroxysphinganine
ceramide 6
ceramide C (C24)
ceramide-3 (C24)
phytosphingosine-2-hydroxy-24:0, ceramide

seed.compound:cpd25293
seedM:cpd25293
ZFUXWVVVWGWGPQ-XRFUAQTBSA-N 		N-(2-hydroxytetracosanoyl)-4-hydroxysphinganine
N-(2-hydroxytetracosanoyl)-phytosphingosine
ceramide C (C24)
ceramide-3 (C24)
phytosphingosine-2-hydroxy-24:0, ceramide

seedM:M_cpd25293 		secondary/obsolete/fantasy identifier