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Ins-1-P-Cer(d20:0/18:0)(1-)

PropertiesImage
MNX_IDMNXM126732 Image of MNXM126732
referencechebi:72555
formulaC44H87NO11P
global charge-1
mol weight837.15
InChIKeyIXGYUQHOSFWETL-MJFIMMJPSA-M
InChIInChI=1S/C44H88NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(46)36(35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52)45-38(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,39-44,46,48-52H,3-35H2,1-2H3,(H,45,47)(H,53,54)/p-1/t36-,37+,39-,40-,41+,42+,43+,44-/m0/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C44H88NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(46)36(35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52)45-38(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,39-44,46,48-52H,3-35H2,1-2H3,(H,45,47)(H,53,54)/t36-,37+,39-,40-,41+,42+,43+,44-/m0/s1 Image of MNXM126732
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C@H:37]([C@H:36]([CH2:35][O:55][P:57]([OH:53])(=[O:54])[O:56][C@H:44]1[C@H:42]([OH:51])[C@@H:40]([OH:49])[C@H:39]([OH:48])[C@@H:41]([OH:50])[C@H:43]1[OH:52])[N:45]=[C:38]([CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:47])[OH:46]
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
IdentifierDescription

CHEBI:72555
chebi:72555
IXGYUQHOSFWETL-MJFIMMJPSA-M 		Ins-1-P-Cer(d20:0/18:0)(1-)
(2S,3R)-3-hydroxy-2-(octadecanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
IPC-A 20:0/18:0
inositol-P-ceramide-A (20:0/18:0)

SLM:000508954
slm:000508954
IXGYUQHOSFWETL-MJFIMMJPSA-M 		Inositol-1-phospho-N-(octadecanoyl)-eicosasphinganine
IPC(d20:0/18:0)
Inositol-1-phospho-N-octadecanoyl-eicosasphinganine
Inositol-1-phosphoceramide (d20:0/18:0)
N-(octadecanoyl)-eicosasphinganine-1-phospho-(1'-myo-inositol)

lipidmaps:LMSP03030025
lipidmapsM:LMSP03030025
IXGYUQHOSFWETL-MJFIMMJPSA-N 		PI-Cer(d20:0/18:0)
IPC 38:0
N-(octadecanoyl)-eicosasphinganine-1-phospho-(1'-myo-inositol)
O2