Lactosylceramide (d18:1/12:0),小分子代谢物

Lactosylceramide (d18:1/12:0)

SMPDB_ID

SMP0000347

通道名称

Metachromatic Leukodystrophy (MLD)

通路

Disease

代谢物ID

PW_C002240

CAS号

4682-48-8

公式

C42H79NO13

HMDB_ID

HMDB0004866

KEGG_ID

C01290

ChEBI_ID

DrugBank_ID

IUPAC

N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]dodecanamide

微笑

CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCC

InChI

InChI=1S/C42H79NO13/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-31(46)30(43-34(47)26-24-22-20-17-12-10-8-6-4-2)29-53-41-39(52)37(50)40(33(28-45)55-41)56-42-38(51)36(49)35(48)32(27-44)54-42/h23,25,30-33,35-42,44-46,48-52H,3-22,24,26-29H2,1-2H3,(H,43,47)/b25-23+/t30-,31+,32+,33+,35-,36-,37+,38+,39?,40+,41+,42-/m0/s1

InChI关键

KNWHKVBHCLQVFX-QXWNENIHSA-N