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inositol phosphoceramide C (C26)

MNXM527415 is deprecated and replaced by MNXM159927
PropertiesImage
MNX_IDMNXM159927 Image of MNXM159927
referencemetacycM:CPD-16381
formulaC50H99NO13P
global charge-1
mol weight953.31
InChIKeyPMXMKGYRVPAIJJ-MMZNESQASA-M
InChIInChI=1S/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/p-1/t40-,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1
SMILESCCCCCCCCCCCCCCCCCCCCCCCC[C@H](O)C(=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)[C@H](O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C50H100NO13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-42(53)50(60)51-40(39-63-65(61,62)64-49-47(58)45(56)44(55)46(57)48(49)59)43(54)41(52)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h40-49,52-59H,3-39H2,1-2H3,(H,51,60)(H,61,62)/t40-,41+,42-,43-,44-,45-,46+,47+,48+,49-/m0/s1 Image of MNXM159927
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][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C@@H:42]([C:50](=[N:51][C@@H:40]([CH2:39][O:63][P:65]([OH:61])(=[O:62])[O:64][C@H:49]1[C@H:47]([OH:58])[C@@H:45]([OH:56])[C@H:44]([OH:55])[C@@H:46]([OH:57])[C@H:48]1[OH:59])[C@@H:43]([C@@H:41]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:52])[OH:54])[OH:60])[OH:53]
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

metacyc.compound:CPD-16381
metacycM:CPD-16381
PMXMKGYRVPAIJJ-MMZNESQASA-M 		inositol phosphoceramide C (C26)
IPC-3 (C26)
IPC-C (C26)
Ins-1-P-Cer(t18:0/2-OH-26:0)
inositol-P-ceramide C (18:0/26:0)
inositol-P-ceramide C (C26)

seed.compound:cpd34866
seedM:cpd34866
PMXMKGYRVPAIJJ-MMZNESQASA-M 		IPC-3 (C26)
IPC-C (C26)
Ins-1-P-Cer(t18:0/2-OH-26:0)
inositol phosphoceramide C (C26)
inositol-P-ceramide C (18:0/26:0)
inositol-P-ceramide C (C26)

SLM:000508950
slm:000508950
PMXMKGYRVPAIJJ-XBBDMFFLSA-M 		Inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
IPC(t18:0/26:0(2OH))
Inositol-1-phospho-N-2-hydroxyhexacosanoyl-4-hydroxysphinganine
Inositol-1-phosphoceramide (t18:0/26:0(2OH))
Inositol-P-ceramide
N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine-1-phospho-(1'-myo-inositol)

CHEBI:139522
chebi:139522
PMXMKGYRVPAIJJ-XBBDMFFLSA-N 		N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)
(2S,3S,4S)-2-[(2-hydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate
IPC t18:0/26:0(2OH)
Ins-1-PCer(t18:0/2-OH-26:0)
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingosine

lipidmaps:LMSP03030041
lipidmapsM:LMSP03030041
PMXMKGYRVPAIJJ-XBBDMFFLSA-N 		PI-Cer(t18:0/26:0(2OH))
IPC 44:0
N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine-1-phospho-(1'-myo-inositol)
O4

CHEBI:139038
chebi:139038
PMXMKGYRVPAIJJ-XBBDMFFLSA-M 		inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine
(2S,3S,4S)-2-[(2-hydroxyhexacosanoyl)amino]-3,4-dihydroxyoctadecyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
IPC t18:0/26:0(2OH)(1-)
Ins-1-PCer(t18:0/2-OH-26:0)(1-)
N-(2-hydroxyhexacosanoyl)phytosphingosine-1-phospho-(1D-myo-inositol)(1-)
inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingosine(1-)

seedM:M_cpd34866 		secondary/obsolete/fantasy identifier