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N-(2-hydroxytricontanoyl)phytosphingosine

PropertiesImage
MNX_IDMNXM128364 Image of MNXM128364
referencechebi:72030
formulaC48H97NO5
global charge0
mol weight768.306
InChIKeySUMICAUIGCVDPI-NSGMLZANSA-N
InChIInChI=1S/C48H97NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-46(52)48(54)49-44(43-50)47(53)45(51)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h44-47,50-53H,3-43H2,1-2H3,(H,49,54)/t44-,45+,46?,47-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C48H97NO5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-46(52)48(54)49-44(43-50)47(53)45(51)41-39-37-35-33-31-16-14-12-10-8-6-4-2/h44-47,50-53H,3-43H2,1-2H3,(H,49,54)/t44-,45+,46?,47-/m0/s1 Image of MNXM128364
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][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH:46]([C:48](=[N:49][C@@H:44]([CH2:43][OH:50])[C@@H:47]([C@@H:45]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:51])[OH:53])[OH:54])[OH:52]
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:72030
chebi:72030
SUMICAUIGCVDPI-NSGMLZANSA-N 		N-(2-hydroxytricontanoyl)phytosphingosine
2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]triacontanamide
Cer(t18:0/30:0(2OH))
N-(2-hydroxytricontanoyl)-4-hydroxysphinganine
PHC-C 18:0/30:0

lipidmaps:LMSP02030072
lipidmapsM:LMSP02030072
SUMICAUIGCVDPI-NSGMLZANSA-N 		Cer(t18:0/30:0(2OH))
Cer 48:0
Cer[AP]
N-(2-hydroxytriacontanoyl)-4R-hydroxysphinganine
N-(2-hydroxytriacontanoyl)-hydroxysphinganine
O4