Search MNXref
 Feedback

1-(beta-D-galactosyl)-N-dodecanoylsphing-4-enine

PropertiesImage
MNX_IDMNXM152669 Image of MNXM152669
referencechebi:73432
formulaC36H69NO8
global charge0
mol weight643.947
InChIKeyIYCYEZLMOLRFAN-XSXRAWBPSA-N
InChIInChI=1S/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23+/t29-,30+,31+,33-,34-,35+,36+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C36H69NO8/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(39)29(28-44-36-35(43)34(42)33(41)31(27-38)45-36)37-32(40)26-24-22-20-17-12-10-8-6-4-2/h23,25,29-31,33-36,38-39,41-43H,3-22,24,26-28H2,1-2H3,(H,37,40)/b25-23+/t29-,30+,31+,33-,34-,35+,36+/m0/s1 Image of MNXM152669
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:19][CH2:21]/[CH:23]=[CH:25]/[C@H:30]([C@H:29]([CH2:28][O:44][C@H:36]1[C@H:35]([OH:43])[C@@H:34]([OH:42])[C@@H:33]([OH:41])[C@@H:31]([CH2:27][OH:38])[O:45]1)[N:37]=[C:32]([CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:40])[OH:39]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:73432
chebi:73432
IYCYEZLMOLRFAN-XSXRAWBPSA-N 		1-(beta-D-galactosyl)-N-dodecanoylsphing-4-enine
1-O-beta-D-galactopyranosyl-N-(dodecanoyl)sphingosine
C12 beta-GalCer
C12-beta-galactosyl ceramide
N-[(2S,3S,4E)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]dodecanamide
beta-D-galactosyl-N-(dodecanoyl)sphingosine
beta-GalCer (C12)
beta-GalCer (C12:0)

SLM:000395418
slm:000395418
IYCYEZLMOLRFAN-XSXRAWBPSA-N 		N-(dodecanoyl)-1-O-beta-D-galactosyl-sphing-4-enine
GalCer(d18:1(4E)/12:0)
Galactosyl ceramide (d18:1(4E)/12:0)