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Glucosylceramide (D18:1/20:1(13Z))

PropertiesImage
MNX_IDMNXM1593429 Image of MNXM1593429
referencevmhM:crbs_palln_glc
vmhM:crbs_palln_glc
formulaC44H83NO8
global charge0
mol weight754.147
InChIKeyGRPNXSXYZWLDKY-PUZBPCDFSA-N
InChIInChI=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/h13,15,31,33,37-39,41-44,46-47,49-51H,3-12,14,16-30,32,34-36H2,1-2H3,(H,45,48)/b15-13+,33-31+/t37-,38+,39+,41+,42-,43+,44?/m0/s1
SMILESCCCCCC/C=C/CCCCCCCCCCCC(=O)N[C@@H](COC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
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/h13,15,31,33,37-39,41-44,46-47,49-51H,3-12,14,16-30,32,34-36H2,1-2H3,(H,45,48)/b15-13+,33-31+/t37-,38+,39+,41+,42-,43+,44?/m0/s1 Image of MNXM1593429
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11]/[CH:13]=[CH:15]/[CH2:17][CH2:18][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][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
IdentifierDescription

vmhM:crbs_palln_glc
vmhM:crbs_palln_glc
vmhmetabolite:crbs_palln_glc
vmhmetabolite:crbs_palln_glc
GRPNXSXYZWLDKY-PUZBPCDFSA-N
Glucosylceramide (D18:1/20:1(13Z))

vmhM:glccrm_201_13Z
vmhM:glccrm_201_13Z
vmhM:M_crbs_palln_glc
secondary/obsolete/fantasy identifier