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N-(Docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine

PropertiesImage
MNX_IDMNXM159403 Image of MNXM159403
referencechebi:183191
formulaC38H77N2O6P
global charge0
mol weight689.016
InChIKeyINTONJGGXIKSRI-YPDYIYJKSA-N
InChIInChI=1S/C38H77N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+/t36-,37+/m0/s1
SMILESCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C38H77N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+/t36-,37+/m0/s1 Image of MNXM159403
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:38](=[N:40][C@@H:36]([CH2:35][O:46][P:47]([OH:43])(=[O:44])[O:45][CH2:34][CH2:33][NH2:39])[C@@H:37](/[CH:31]=[CH:29]/[CH2:27][CH2:25][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:41])[OH:42]
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:183191
chebi:183191
INTONJGGXIKSRI-YPDYIYJKSA-N 		N-(Docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
2-aminoethyl [(E,2S,3R)-2-(docosanoylamino)-3-hydroxytetradec-4-enyl] hydrogen phosphate

lipidmaps:LMSP03020008
lipidmapsM:LMSP03020008
INTONJGGXIKSRI-YPDYIYJKSA-N 		CerPE(d14:1(4E)/22:0)
CerPE 36:1
N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
O2
PE-Cer(d14:1/22:0)

SLM:000398487
slm:000398487
INTONJGGXIKSRI-YPDYIYJKSA-N 		N-(docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Ceramide phosphoethanolamine (d14:1(4E)/22:0)
PE-Cer(d14:1(4E)/22:0)