MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N-hexadecanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

	Properties	Image
MNX_ID	MNXM107075
reference	chebi:71073
formula	C₃₉H₇₇NO₉
global charge	0
mol weight	704.043
InChIKey	GIRZIQWOUDNHQB-XQYXTQRKSA-N
InChI	InChI=1S/C39H77NO9/c1-4-5-6-7-8-9-10-11-12-13-18-21-24-27-34(43)40-31(29-48-39-38(47)37(46)36(45)33(28-41)49-39)35(44)32(42)26-23-20-17-15-14-16-19-22-25-30(2)3/h30-33,35-39,41-42,44-47H,4-29H2,1-3H3,(H,40,43)/t31-,32+,33+,35-,36+,37-,38+,39+/m0/s1
SMILES	CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C

MNX internals

InChI (mnx)	InChI=1/C39H77NO9/c1-4-5-6-7-8-9-10-11-12-13-18-21-24-27-34(43)40-31(29-48-39-38(47)37(46)36(45)33(28-41)49-39)35(44)32(42)26-23-20-17-15-14-16-19-22-25-30(2)3/h30-33,35-39,41-42,44-47H,4-29H2,1-3H3,(H,40,43)/t31-,32+,33+,35-,36+,37-,38+,39+/m0/s1
SMILES (mnx)	[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:18][CH2:21][CH2:24][CH2:27][C:34](=[N:40][C@@H:31]([CH2:29][O:48][C@H:39]1[C@H:38]([OH:47])[C@@H:37]([OH:46])[C@H:36]([OH:45])[C@@H:33]([CH2:28][OH:41])[O:49]1)[C@@H:35]([C@@H:32]([CH2:26][CH2:23][CH2:20][CH2:17][CH2:15][CH2:14][CH2:16][CH2:19][CH2:22][CH2:25][CH:30]([CH3:2])[CH3:3])[OH:42])[OH:44])[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
Identifier	Description
CHEBI:71073 chebi:71073 GIRZIQWOUDNHQB-XQYXTQRKSA-N	N-hexadecanoyl-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine 1-O-beta-D-glucosyl-N-hexadecanoyl-4-hydroxy-15-methylhexadecasphinganine
SLM:000396102 slm:000396102 GIRZIQWOUDNHQB-XQYXTQRKSA-N	N-(hexadecanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine GlcCer(iso-t17:0/16:0) Glucosyl ceramide (iso-t17:0/16:0)