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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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mannosylinositol phosphorylceramide C (C24)

MNXM531685 is deprecated and replaced by MNXM61065

	Properties	Image
MNX_ID	MNXM61065
reference	metacycM:CPD-16393
formula	C₅₄H₁₀₅NO₁₈P
global charge	-1
mol weight	1087.397
InChIKey	HVXJHKJMUGDFHR-PQEUPXAUSA-M
InChI	InChI=1S/C54H106NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(58)53(67)55-39(43(59)40(57)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-49(65)47(63)46(62)48(64)51(52)72-54-50(66)45(61)44(60)42(37-56)71-54/h39-52,54,56-66H,3-38H2,1-2H3,(H,55,67)(H,68,69)/p-1/t39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/m0/s1
SMILES	CCCCCCCCCCCCCCCCCCCCCC[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]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC

MNX internals

InChI (mnx)	InChI=1/C54H106NO18P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(58)53(67)55-39(43(59)40(57)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-49(65)47(63)46(62)48(64)51(52)72-54-50(66)45(61)44(60)42(37-56)71-54/h39-52,54,56-66H,3-38H2,1-2H3,(H,55,67)(H,68,69)/t39-,40+,41-,42+,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,54-/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][CH2:21][CH2:22][CH2:23][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C@@H:41]([C:53](=[N:55][C@@H:39]([CH2:38][O:70][P:74]([OH:68])(=[O:69])[O:73][C@@H:52]1[C@H:49]([OH:65])[C@H:47]([OH:63])[C@@H:46]([OH:62])[C@H:48]([OH:64])[C@H:51]1[O:72][C@H:54]1[C@@H:50]([OH:66])[C@@H:45]([OH:61])[C@H:44]([OH:60])[C@@H:42]([CH2:37][OH:56])[O:71]1)[C@@H:43]([C@@H:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:57])[OH:59])[OH:67])[OH:58]

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
Identifier	Description
metacyc.compound:CPD-16393 metacycM:CPD-16393 HVXJHKJMUGDFHR-PQEUPXAUSA-M	mannosylinositol phosphorylceramide C (C24) MIPC-3 (C24) MIPC-C (C24) Man-beta1-2-Ins-1-P-Cer(t18:0/2-OH-24:0) mannosylinositol phosphorylceramide C (18:0/24:0)
seed.compound:cpd33877 seedM:cpd33877 HVXJHKJMUGDFHR-PQEUPXAUSA-M	MIPC-3 (C24) MIPC-C (C24) Man-beta1-2-Ins-1-P-Cer(t18:0/2-OH-24:0) mannosylinositol phosphorylceramide C (18:0/24:0) mannosylinositol phosphorylceramide C (C24)
CHEBI:65163 chebi:65163 HVXJHKJMUGDFHR-GYJUQVBOSA-M	Man-beta1-6-Ins-1-P-Cer(t18:0/2-OH-24:0)(1-) (2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl phosphate
CHEBI:60422 chebi:60422 HVXJHKJMUGDFHR-GYJUQVBOSA-N	Man-beta1-6-Ins-1-P-Cer(t18:0/2-OH-24:0) (2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl (1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-(beta-D-mannopyranosyloxy)cyclohexyl hydrogen phosphate 1D-6-O-(beta-D-mannopyranosyl)-myo-inositol 1-[(2S,3S)-3,4-dihydroxy-2-[(2-hydroxytetracosanoyl)amino]octadecyl hydrogen phosphate] MIPC-3 (C24) MIPC-C (C24) mannosylinositol phosphorylceramide C (18:0/24:0) mannosylinositol phosphorylceramide C (C24)
SLM:000509033 slm:000509033 HVXJHKJMUGDFHR-BOQWDYKHSA-M	Mannosylinositol-1-phospho-N-(2-hydroxytetracosanoyl)-4R-hydroxysphinganine MIPC(t18:0/24:0(2OH)) Mannosylinositol-1-phospho-N-2-hydroxytetracosanoyl-4-hydroxysphinganine Mannosylinositol-1-phosphoceramide (t18:0/24:0(2OH)) N-(2-hydroxytetracosanoyl)-4R-hydroxysphinganine-1-O-[D-mannopyranosyl-alpha1-2-myo-inositol-1-phosphate]
seedM:M_cpd33877	secondary/obsolete/fantasy identifier