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Glucosylceramide (D18:1/20:1(2Z))

	Properties	Image
MNX_ID	MNXM1593400
reference	vmhM:crbs_arach2Z_glc vmhM:crbs_arach2Z_glc
formula	C₄₄H₈₃NO₈
global charge	0
mol weight	754.147
InChIKey	PMLOCPZZXYZNQX-KQMDFOHKSA-N
InChI	InChI=1S/C44H83NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31-34,37-39,41-44,46-47,49-51H,3-30,35-36H2,1-2H3,(H,45,48)/b33-31+,34-32+/t37-,38+,39+,41+,42-,43+,44?/m0/s1
SMILES	CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NC(=O)/C=C/CCCCCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C44H83NO8/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-40(48)45-37(36-52-44-43(51)42(50)41(49)39(35-46)53-44)38(47)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h31-34,37-39,41-44,46-47,49-51H,3-30,35-36H2,1-2H3,(H,45,48)/b33-31+,34-32+/t37-,38+,39+,41+,42-,43+,44?/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30]/[CH:32]=[CH:34]/[C:40]([NH:45][C@@H:37]([CH2:36][O:52][CH:44]1[C@H:43]([OH:51])[C@@H:42]([OH:50])[C@H:41]([OH:49])[C@@H:39]([CH2:35][OH:46])[O:53]1)[C@@H:38](/[CH:33]=[CH:31]/[CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:47])=[O:48]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
vmhM:crbs_arach2Z_glc vmhM:crbs_arach2Z_glc vmhmetabolite:crbs_arach2Z_glc vmhmetabolite:crbs_arach2Z_glc PMLOCPZZXYZNQX-KQMDFOHKSA-N	Glucosylceramide (D18:1/20:1(2Z))
vmhM:glccrm_201_2Z vmhM:glccrm_201_2Z vmhM:M_crbs_arach2Z_glc	secondary/obsolete/fantasy identifier