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N-octadecanoyl-heptadecasphing-4-enine

PropertiesImage
MNX_IDMNXM1129268 Image of MNXM1129268
referencechebi:172405
formulaC35H69NO3
global charge0
mol weight551.941
InChIKeyKGEXFGDEDXQZLQ-QKSCFGQVSA-N
InChIInChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C35H69NO3/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1 Image of MNXM1129268
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][C:35](=[N:36][C@@H:33]([CH2:32][OH:37])[C@@H:34](/[CH:30]=[CH:28]/[CH2:26][CH2:24][CH2:22][CH2:20][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:38])[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:172405
chebi:172405
KGEXFGDEDXQZLQ-QKSCFGQVSA-N 		N-octadecanoyl-heptadecasphing-4-enine
N-octadecanoyl-C17-sphingosine
hmdb:HMDB0240683
KGEXFGDEDXQZLQ-QKSCFGQVSA-N 		Cer(d17:1/18:0)
17c18-Ceramide
Cer D17:1/18:0
Ceramide
Ceramide (D17:1,C18:0)
Ceramide (D17:1/18:0)
Ceramide(D17:1/18:0)
N-(Octadecanoyl)-heptadeca4-sphingenine
N-(Octadecanoyl)-heptadecad-erythro-sphingosine
N-(Octadecanoyl)-heptadecad-sphingosine
N-(Octadecanoyl)-heptadecaerythro-4-sphingenine
N-(Octadecanoyl)-heptadecasphing-4-enine
N-(Octadecanoyl)-heptadecasphingenine
N-(Octadecanoyl)-heptadecasphingosine
N-[(2S,3R,4E)-1,3-dihydroxyheptadec-4-en-2-yl]octadecanamide