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PE-Cer(d16:1(4E)/18:0)

PropertiesImage
MNX_IDMNXM159446 Image of MNXM159446
referencechebi:179504
formulaC36H73N2O6P
global charge0
mol weight660.962
InChIKeyGDQHRVHWCRZKOF-WSYRTZMQSA-N
InChIInChI=1S/C36H73N2O6P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h27,29,34-35,39H,3-26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b29-27+/t34-,35+/m0/s1
SMILESCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C36H73N2O6P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-36(40)38-34(33-44-45(41,42)43-32-31-37)35(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h27,29,34-35,39H,3-26,28,30-33,37H2,1-2H3,(H,38,40)(H,41,42)/b29-27+/t34-,35+/m0/s1 Image of MNXM159446
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][C:36](=[N:38][C@@H:34]([CH2:33][O:44][P:45]([OH:41])(=[O:42])[O:43][CH2:32][CH2:31][NH2:37])[C@@H:35](/[CH:29]=[CH:27]/[CH2:25][CH2:23][CH2:21][CH2:19][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:39])[OH:40]
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:179504
chebi:179504
GDQHRVHWCRZKOF-WSYRTZMQSA-N 		PE-Cer(d16:1(4E)/18:0)
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)hexadec-4-enyl] hydrogen phosphate

lipidmaps:LMSP03020020
lipidmapsM:LMSP03020020
GDQHRVHWCRZKOF-WSYRTZMQSA-N 		CerPE(d16:1(4E)/18:0)
CerPE 34:1
N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
O2
PE-Cer(d16:1/18:0)

SLM:000398657
slm:000398657
GDQHRVHWCRZKOF-WSYRTZMQSA-N 		N-(octadecanoyl)-hexadecasphing-4-enine-1-phosphoethanolamine
Ceramide phosphoethanolamine (d16:1(4E)/18:0)
PE-Cer(d16:1(4E)/18:0)