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N-icosanoyl-15-methylhexadecasphing-4-enine

PropertiesImage
MNX_IDMNXM107032 Image of MNXM107032
referencechebi:71373
formulaC37H73NO3
global charge0
mol weight579.995
InChIKeyYZGXLGWMBKIXSM-RMDSOLTBSA-N
InChIInChI=1S/C37H73NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-37(41)38-35(33-39)36(40)31-28-25-22-19-17-18-21-24-27-30-34(2)3/h28,31,34-36,39-40H,4-27,29-30,32-33H2,1-3H3,(H,38,41)/b31-28+/t35-,36+/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C37H73NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-29-32-37(41)38-35(33-39)36(40)31-28-25-22-19-17-18-21-24-27-30-34(2)3/h28,31,34-36,39-40H,4-27,29-30,32-33H2,1-3H3,(H,38,41)/b31-28+/t35-,36+/m0/s1 Image of MNXM107032
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][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][C:37](=[N:38][C@@H:35]([CH2:33][OH:39])[C@@H:36](/[CH:31]=[CH:28]/[CH2:25][CH2:22][CH2:19][CH2:17][CH2:18][CH2:21][CH2:24][CH2:27][CH2:30][CH:34]([CH3:2])[CH3:3])[OH:40])[OH:41]
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:71373
chebi:71373
YZGXLGWMBKIXSM-RMDSOLTBSA-N 		N-icosanoyl-15-methylhexadecasphing-4-enine
N-[(2S,3R,4E)-1,3-dihydroxy-15-methylhexadec-4-en-2-yl]icosanamide
N-eicosanoyl-15-methylhexadecasphing-4-enine

SLM:000396336
slm:000396336
YZGXLGWMBKIXSM-RMDSOLTBSA-N 		N-(eicosanoyl)-15-methylhexadecasphing-4-enine
Cer(iso-d17:1(4E)/20:0)
Ceramide (iso-d17:1(4E)/20:0)