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N-docosanoyl-15-methylhexadecasphing-4-enine

PropertiesImage
MNX_IDMNXM107026 Image of MNXM107026
referencechebi:71377
formulaC39H77NO3
global charge0
mol weight608.049
InChIKeyXMCZTIGIXKXPGG-KNEGYRQWSA-N
InChIInChI=1S/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C39H77NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28-31-34-39(43)40-37(35-41)38(42)33-30-27-24-21-19-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+/t37-,38+/m0/s1 Image of MNXM107026
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][C:39](=[N:40][C@@H:37]([CH2:35][OH:41])[C@@H:38](/[CH:33]=[CH:30]/[CH2:27][CH2:24][CH2:21][CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH:36]([CH3:2])[CH3:3])[OH:42])[OH:43]
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:71377
chebi:71377
XMCZTIGIXKXPGG-KNEGYRQWSA-N 		N-docosanoyl-15-methylhexadecasphing-4-enine
Cer (d17:1;2/22:0)
Cer 39:1;2
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]docosanamide

SLM:000000178
slm:000000178
XMCZTIGIXKXPGG-KNEGYRQWSA-N 		N-(docosanoyl)-15-methylhexadecasphing-4-enine
Cer(iso-d17:1(4E)/22:0)
Ceramide (iso-d17:1(4E)/22:0)
N-docosanoyl-15-methylhexadecasphing-4-enine