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Cerebroside B

Properties

Image

Occurences in reactions

MNX_ID

MNXM120417

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

formula

C₄₁H₇₇NO₉

charge

mass

727.55983

reference

chebi:172811

InChIKey

YBSQGNFRWZKFMJ-FRJHFHMPSA-N

InChI

InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1

SMILES

CCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:172811 chebi:172811	Cerebroside B (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
hmdb:HMDB0035990	Cerebroside B 2-Hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanimidate 2-hydroxy-N-[(4E,8E)-3-hydroxy-9-methyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanamide Cerebroside b
lipidmaps:LMSP05010133 lipidmapsM:LMSP05010133	Cerebroside B HexCer 35:2 N-(2-hydroxy-hexadecanoyl)-1-beta-glucosyl-9-methyl-sphinga-4E,8E-dienine O3
lipidmaps:LMSP05010113 lipidmapsM:LMSP05010113	N-(2R-hydroxy-hexadecanoyl)-1-beta-glucosyl-9-methyl-sphing-4E,8E-dienine HexCer 35:2 O3
hmdb:HMDB35990	secondary/obsolete/fantasy identifier