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N-tetracosanoylsphinganine

Properties

Image

with InChI numbering

Occurences in reactions

MNX_ID

MNXM64020

	#reac
in my sandbox	0
in MNXref (generic)	13
in models (compartimentalized)	1

formula

C₄₂H₈₅NO₃

charge

mass

652.146

reference

chebi:52961

InChIKey

BPLYVSYSBPLDOA-WVILEFPPSA-N

InChI

InChI=1S/C42H85NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,43,46)/t40-,41+/m0/s1

SMILES

[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:42](=[N:43][C@@H:40]([CH2:39][OH:44])[C@@H:41]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:45])[OH:46]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:52961 chebi:52961	N-tetracosanoylsphinganine C24DH Cer Cer(d18:0/24:0) N-(tetracosanoyl)-sphinganine N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide ceramide-1 (sphinganine:N-C24:0)
hmdb:HMDB0011768	Cer(d18:0/24:0) C24DH Cer C24DH cer Ceramide Ceramide(D18:0/24:0) Ceramide-1 (sphinganine:n-C24:0) N-(Tetracosanoyl)-D-erythro-sphinganine N-(Tetracosanoyl)-dihydrosphingosine N-(Tetracosanoyl)-sphinganine N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]tetracosanamide
lipidmaps:LMSP02020012 lipidmapsM:LMSP02020012	Cer(d18:0/24:0) C24DH Cer Cer 42:0 Cer[NdS] N-(tetracosanoyl)-dihydroceramide N-(tetracosanoyl)-sphinganine O2
seed.compound:cpd32309 seedM:cpd32309	Cer(d18:0/24:0) N-(tetracosanoyl)-sphinganine N-tetracosanoylsphinganine ceramide A (C24) ceramide-1 (C24) ceramide-1 (sphinganine:N-C24:0)
seed.compound:cpd15220 seedM:cpd15220	Ceramide-1 Sphinganine:n-C24:0) Ceramide-1 (Sphinganine:n-C24:0) cer1_24
metacyc.compound:CPD-16352 metacycM:CPD-16352	N-(tetracosanoyl)-sphinganine C24 dihydroceramide C24 dihydrosphingosine C24 sphinganine Cer(d18:0/24:0) ceramide A (C24) ceramide-1 (sphinganine:N-C24:0)
SLM:000000491 slm:000000491	N-(tetracosanoyl)-sphinganine Cer(d18:0/24:0) Ceramide (d18:0/24:0)
hmdb:HMDB11768 seedM:M_cpd15220 seedM:M_cpd32309	secondary/obsolete/fantasy identifier